(2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide

C11H22N2O2 — CID 106176083

IUPAC(2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H22N2O2/c1-3-11(2,6-8-14)13-10(15)9-5-4-7-12-9/h9,12,14H,3-8H2,1-2H3,(H,13,15)/t9-,11?/m0/s1
InChIKeyINDAURXKHIMHMZ-FTNKSUMCSA-N
MW214.31 g/mol
LogP0.41
Rot. Bonds5

About (2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide

(2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide (PubChem CID 106176083) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide
PubChem CID106176083
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H22N2O2/c1-3-11(2,6-8-14)13-10(15)9-5-4-7-12-9/h9,12,14H,3-8H2,1-2H3,(H,13,15)/t9-,11?/m0/s1
InChIKeyINDAURXKHIMHMZ-FTNKSUMCSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-3-yl)piperidine-2-carboxamide
CID 65039048
N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103945589
N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826
N-(3-methylpentan-3-yl)piperazine-2-carboxamide
CID 106329297
(2R)-N-(3-hydroxy-2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 104901499
cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106167862
2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61159683
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide
CID 107852747
2-(azepane-2-carbonylamino)-2-ethylbutanoic acid
CID 79804530
(2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide
CID 67670583
2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 104901372

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide (CID 106176083) is (2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide is CCC(C)(CCO)NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is INDAURXKHIMHMZ-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(2,6-8-14)13-10(15)9-5-4-7-12-9/h9,12,14H,3-8H2,1-2H3,(H,13,15)/t9-,11?/m0/s1.
What are the key properties of (2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide?
(2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 106176083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).