methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride

C8H15ClN2O3 — CID 155487501

IUPACmethyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)C[C@@H]1CCNC1=O.Cl
InChIInChI=1S/C8H14N2O3.ClH/c1-13-8(12)6(9)4-5-2-3-10-7(5)11;/h5-6H,2-4,9H2,1H3,(H,10,11);1H/t5-,6-;/m0./s1
InChIKeyXFJBHQSJYHXLGJ-GEMLJDPKSA-N
MW222.67 g/mol
LogP-0.57
Rot. Bonds3

About methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride

methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride (PubChem CID 155487501) has the molecular formula C8H15ClN2O3 and a molecular weight of 222.67 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
PubChem CID155487501
Molecular FormulaC8H15ClN2O3
Molecular Weight222.67 g/mol
Exact Mass222.08
IUPAC Namemethyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)C[C@@H]1CCNC1=O.Cl
InChIInChI=1S/C8H14N2O3.ClH/c1-13-8(12)6(9)4-5-2-3-10-7(5)11;/h5-6H,2-4,9H2,1H3,(H,10,11);1H/t5-,6-;/m0./s1
InChIKeyXFJBHQSJYHXLGJ-GEMLJDPKSA-N
XLogP-0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethylhexyl pyroglutamate
CID 107251
methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 11380628
Methyl (S)-2-amino-3-((S)-2-oxopyrrolidin-3-yl)propanoate
CID 11844233
methyl (2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidine-2-carboxylate
CID 177853144
Antiviral agent 5
CID 162413292
2-Ethylhexyl 2-pyrrolidone-5-carboxylate
CID 19939357
H-Leu(4-F)-Ala((S)-2-oxopyrrolidin-3-yl)-OMe
CID 162479301
methyl (2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanoate
CID 166466541
methyl 2-[(2-amino-4-fluoro-4-methylpentanoyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175458129
Methyl 2-[(2-amino-4-fluoro-4-methylpentanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 175458130
methyl (2S,3S)-3-methyl-5-oxopyrrolidine-2-carboxylate
CID 10241055
5-Oxo-3-propylpyrrolidine-2-carboxylic acid
CID 256627

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride (CID 155487501) is methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride is COC(=O)[C@@H](N)C[C@@H]1CCNC1=O.Cl.
What is the InChIKey of methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride?
The InChIKey is XFJBHQSJYHXLGJ-GEMLJDPKSA-N. The full InChI is InChI=1S/C8H14N2O3.ClH/c1-13-8(12)6(9)4-5-2-3-10-7(5)11;/h5-6H,2-4,9H2,1H3,(H,10,11);1H/t5-,6-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride?
methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride has a molecular weight of 222.67 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride is sourced from PubChem (CID 155487501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).