trans-3-(Boc-amino)cyclopentanol - CAS 207729-04-2

Catalog:	BB016272
Product Name:	trans-3-(Boc-amino)cyclopentanol
CAS:	207729-04-2
Synonyms:	N-[(1R,3R)-3-hydroxycyclopentyl]carbamic acid tert-butyl ester; tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
Description:	trans-3-(Boc-amino)cyclopentanol (CAS# 207729-04-2) is a useful research chemical.
Molecular Weight:	201.26
Molecular Formula:	C10H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCC(C1)O
InChI:	InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m1/s1
InChI Key:	SBUKINULYZANSP-HTQZYQBOSA-N
Appearance:	White to yellow solid
LogP:	1.81540

Publication Number	Title	Priority Date
WO-2019210835-A1	Diaryl macrocyclic compound as protein kinase modulator	20180504
CN-111918868-A	Diaryl macrocycles as protein kinase modulators	20180504
US-2019248777-A1	Isoxazole derivatives as fxr agonists and methods of use thereof	20180214
WO-2019160813-A1	Isoxazole derivatives as fxr agonists and methods of use thereof	20180214
US-10829486-B2	Isoxazole derivatives as FXR agonists and methods of use thereof	20180214

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	201.13649347
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	201.13649347
Rotatable Bond Count:	3
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2