(S) - Methyl 2- Amino- 3- cyclopropylpropanoat e Hydrochloride - CAS 206438-31-5

Name: (S) - Methyl 2- Amino- 3- cyclopropylpropanoat e Hydrochloride
Brand: BOC Sciences
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Catalog:	BB058942
Product Name:	(S) - Methyl 2- Amino- 3- cyclopropylpropanoat e Hydrochloride
CAS:	206438-31-5
Synonyms:	(S)-Methyl 2-Amino-3-cyclopropylpropanoate Hydrochloride

Technical Data

IUPAC Name:	methyl (2S)-2-amino-3-cyclopropylpropanoatehydrochloride
Description:	(S) - Methyl 2- Amino- 3- cyclopropylpropanoat e Hydrochloride is a reactant used in the preparation of broad-spectrum inhibitors of coronavirus and enterovirus replication.
Molecular Weight:	143.18 + 36.46
Molecular Formula:	C7H13NO2·HCl
Canonical SMILES:	COC(=O)C(CC1CC1)N.Cl
InChI:	InChI=1S/C7H13NO2.ClH/c1-10-7(9)6(8)4-5-2-3-5/h5-6H,2-4,8H2,1H31H/t6-/m0./s1
InChI Key:	BAFGFLVLZUVHIL-RGMNGODLSA-N
References:	Zhang, L. et al. bioRxiv., 1 ( 2020); Zhang, L. et al. J. Med. Chem., 63, 4562 (2020).

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	179.0713064
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	179.0713064
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0