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

C7H14ClN3O2 — CID 162368212

IUPAC(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride
SMILESCl.NC(=O)[C@@H](N)C[C@@H]1CCNC1=O
InChIInChI=1S/C7H13N3O2.ClH/c8-5(6(9)11)3-4-1-2-10-7(4)12;/h4-5H,1-3,8H2,(H2,9,11)(H,10,12);1H/t4-,5-;/m0./s1
InChIKeyXMKRXOFRYITIKH-FHAQVOQBSA-N
MW207.66 g/mol
LogP-1.25
Rot. Bonds3

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

(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride (PubChem CID 162368212) has the molecular formula C7H14ClN3O2 and a molecular weight of 207.66 g/mol. Its IUPAC name is (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride
PubChem CID162368212
Molecular FormulaC7H14ClN3O2
Molecular Weight207.66 g/mol
Exact Mass207.08
IUPAC Name(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride
SMILESCl.NC(=O)[C@@H](N)C[C@@H]1CCNC1=O
InChIInChI=1S/C7H13N3O2.ClH/c8-5(6(9)11)3-4-1-2-10-7(4)12;/h4-5H,1-3,8H2,(H2,9,11)(H,10,12);1H/t4-,5-;/m0./s1
InChIKeyXMKRXOFRYITIKH-FHAQVOQBSA-N
XLogP-1.25
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 139534066
(3S)-3-[(2S)-2-Amino-3-oxobutyl]pyrrolidin-2-one
CID 16214837
(S)-2-Amino-3-((S)-2-oxopyrrolidin-3-yl)propanamide
CID 157400355
rac-(4R,5S)-4-amino-5-(propan-2-yl)pyrrolidin-2-one hydrochloride
CID 154851663
4-Amino-5-(propan-2-yl)pyrrolidin-2-one hydrochloride
CID 165788700
(3R,4R)-3-Amino-4-propyl-pyrrolidin-2-one
CID 44377490
(2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide
CID 71933133
(2S)-2-amino-3-[(5R)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]propanamide
CID 166466429
(3S)-3-[(2S)-2-amino-4-fluoro-3-oxobutyl]pyrrolidin-2-one
CID 166964344
3-(2-Amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one
CID 169685481
(3S)-3-(2-amino-4-fluoro-3-oxobutyl)pyrrolidin-2-one
CID 175214587
(4R,5R)-5-ethyl-4-methylpyrrolidin-2-one
CID 124506925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride (CID 162368212) is (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride is Cl.NC(=O)[C@@H](N)C[C@@H]1CCNC1=O.
What is the InChIKey of (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride?
The InChIKey is XMKRXOFRYITIKH-FHAQVOQBSA-N. The full InChI is InChI=1S/C7H13N3O2.ClH/c8-5(6(9)11)3-4-1-2-10-7(4)12;/h4-5H,1-3,8H2,(H2,9,11)(H,10,12);1H/t4-,5-;/m0./s1.
What are the key properties of (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride?
(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 162368212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).