N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride

C8H16ClN3O2 — CID 130609699

IUPACN-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)C1CCC(=O)N1.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-5(4-9)10-8(13)6-2-3-7(12)11-6;/h5-6H,2-4,9H2,1H3,(H,10,13)(H,11,12);1H/t5-,6?;/m0./s1
InChIKeyIEWCOERCTQWVMU-GNVLWMSISA-N
MW221.69 g/mol
LogP-0.85
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride (PubChem CID 130609699) has the molecular formula C8H16ClN3O2 and a molecular weight of 221.69 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
PubChem CID130609699
Molecular FormulaC8H16ClN3O2
Molecular Weight221.69 g/mol
Exact Mass221.09
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)C1CCC(=O)N1.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-5(4-9)10-8(13)6-2-3-7(12)11-6;/h5-6H,2-4,9H2,1H3,(H,10,13)(H,11,12);1H/t5-,6?;/m0./s1
InChIKeyIEWCOERCTQWVMU-GNVLWMSISA-N
XLogP-0.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886
N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 59525111
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide
CID 103709621
N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 71993237
(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 101002831
N-[(2R)-1-aminopropan-2-yl]-2-oxopiperidine-4-carboxamide
CID 130874972
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 131841435
4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104769141
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 81487399

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride (CID 130609699) is N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride is C[C@@H](CN)NC(=O)C1CCC(=O)N1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is IEWCOERCTQWVMU-GNVLWMSISA-N. The full InChI is InChI=1S/C8H15N3O2.ClH/c1-5(4-9)10-8(13)6-2-3-7(12)11-6;/h5-6H,2-4,9H2,1H3,(H,10,13)(H,11,12);1H/t5-,6?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 221.69 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130609699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).