N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C10H18N2O3 — CID 104981078

IUPACN-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C10H18N2O3/c1-3-8(6-13)11-10(15)7-4-9(14)12(2)5-7/h7-8,13H,3-6H2,1-2H3,(H,11,15)/t7?,8-/m0/s1
InChIKeyNZCZKEAZCDBPQB-MQWKRIRWSA-N
MW214.26 g/mol
LogP-0.65
Rot. Bonds4

About N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 104981078) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID104981078
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C10H18N2O3/c1-3-8(6-13)11-10(15)7-4-9(14)12(2)5-7/h7-8,13H,3-6H2,1-2H3,(H,11,15)/t7?,8-/m0/s1
InChIKeyNZCZKEAZCDBPQB-MQWKRIRWSA-N
XLogP-0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103920300
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
(3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9352536
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 104965003
3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43354000
N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 115877696
N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 115767487
2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 61015031
(3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95291646
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 107362651
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 62519112

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 104981078) is N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CC[C@@H](CO)NC(=O)C1CC(=O)N(C)C1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NZCZKEAZCDBPQB-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-8(6-13)11-10(15)7-4-9(14)12(2)5-7/h7-8,13H,3-6H2,1-2H3,(H,11,15)/t7?,8-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 214.26 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 104981078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).