N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide

C9H16N2O3 — CID 43500469

IUPACN-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCCC(CO)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C9H16N2O3/c1-2-6(5-12)10-9(14)7-3-4-8(13)11-7/h6-7,12H,2-5H2,1H3,(H,10,14)(H,11,13)
InChIKeyHEKYLNFIOLBXDD-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.85
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide

N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 43500469) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID43500469
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCCC(CO)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C9H16N2O3/c1-2-6(5-12)10-9(14)7-3-4-8(13)11-7/h6-7,12H,2-5H2,1H3,(H,10,14)(H,11,13)
InChIKeyHEKYLNFIOLBXDD-UHFFFAOYSA-N
XLogP-0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
N-[(2S)-1-hydroxybutan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 104981103
(2R)-N-[(2S)-1-(3,4-dimethylphenyl)sulfanylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 124569792
(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886
(2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide
CID 104874088
N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 130609699
N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 71993237
(2R)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 103941043
(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 101002831
N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide
CID 63731996
N-(1-cyano-3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 82287124
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 131841435

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide (CID 43500469) is N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide is CCC(CO)NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is HEKYLNFIOLBXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-6(5-12)10-9(14)7-3-4-8(13)11-7/h6-7,12H,2-5H2,1H3,(H,10,14)(H,11,13).
What are the key properties of N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide?
N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 43500469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).