(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide

C8H14N2O2 — CID 11105798

IUPAC(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H14N2O2/c1-5(2)9-8(12)6-3-4-7(11)10-6/h5-6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKeyMYKMCQKKHLJNSO-LURJTMIESA-N
MW170.21 g/mol
LogP-0.21
Rot. Bonds2

About (2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide

(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 11105798) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID11105798
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H14N2O2/c1-5(2)9-8(12)6-3-4-7(11)10-6/h5-6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKeyMYKMCQKKHLJNSO-LURJTMIESA-N
XLogP-0.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 101002831
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 131841435
(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886
N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 130609699
(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide
CID 103709621
4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104769141
5-oxo-N-(1-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 62034686
(2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid
CID 61144089
N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 43500469
N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 71993237
(2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 18611788
N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 59525111

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide (CID 11105798) is (2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is MYKMCQKKHLJNSO-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(2)9-8(12)6-3-4-7(11)10-6/h5-6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 170.21 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11105798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).