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4-Amino-hexahydro-cyclopenta[c]pyrrole-2-carboxylic Acid tert-Butyl Ester

4-Amino-hexahydro-cyclopenta[c]pyrrole-2-carboxylic Acid tert-Butyl Ester - CAS 1187930-92-2

Catalog:	BB074817
Product Name:	4-Amino-hexahydro-cyclopenta[c]pyrrole-2-carboxylic Acid tert-Butyl Ester
CAS:	1187930-92-2
Synonyms:	4-Aminohexahydro-cyclopenta[c]pyrrole-2(1H)-carboxylic Acid 1,1-Dimethylethyl Ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	tert-butyl 4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
Description:	4-Amino-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
Molecular Weight:	226.32
Molecular Formula:	C12H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CC2CCC(C2C1)N
InChI:	InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-8-4-5-10(13)9(8)7-14/h8-10H,4-7,13H2,1-3H3
InChI Key:	VMUXGMBHACBHJJ-UHFFFAOYSA-N

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.168127949
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.168127949
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.6Å²
Undefined Atom Stereocenter Count:	3
Undefined Bond Stereocenter Count:	0
XLogP3:	1