1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide

C14H24N2O3 — CID 97228397

IUPAC1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide
SMILESCC(C)COC[C@@H](O)CNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C14H24N2O3/c1-11(2)8-19-9-12(17)7-16-13(18)14(10-15)5-3-4-6-14/h11-12,17H,3-9H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyRVLWHFSZIDPRCZ-LBPRGKRZSA-N
MW268.36 g/mol
LogP1.22
Rot. Bonds7

About 1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide

1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide (PubChem CID 97228397) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide
PubChem CID97228397
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide
SMILESCC(C)COC[C@@H](O)CNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C14H24N2O3/c1-11(2)8-19-9-12(17)7-16-13(18)14(10-15)5-3-4-6-14/h11-12,17H,3-9H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyRVLWHFSZIDPRCZ-LBPRGKRZSA-N
XLogP1.22
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide
CID 111662697
1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 79250293
1-cyano-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111434785
1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 78995285
1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 103820750
1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
CID 106161672
tert-butyl N-[(2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-methylpropyl]-N-methylcarbamate
CID 95620438
1-cyano-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 103722771
1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide
CID 111791814
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
CID 78994718

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide (CID 97228397) is 1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide is CC(C)COC[C@@H](O)CNC(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide?
The InChIKey is RVLWHFSZIDPRCZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(2)8-19-9-12(17)7-16-13(18)14(10-15)5-3-4-6-14/h11-12,17H,3-9H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of 1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide?
1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 97228397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).