N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide

C12H23NO3 — CID 107180415

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(O)(CO)CNC(=O)C1CCCC1(C)C
InChIInChI=1S/C12H23NO3/c1-11(2)6-4-5-9(11)10(15)13-7-12(3,16)8-14/h9,14,16H,4-8H2,1-3H3,(H,13,15)
InChIKeyGLVQUTIBWPQMTK-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.67
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107180415) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107180415
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(O)(CO)CNC(=O)C1CCCC1(C)C
InChIInChI=1S/C12H23NO3/c1-11(2)6-4-5-9(11)10(15)13-7-12(3,16)8-14/h9,14,16H,4-8H2,1-3H3,(H,13,15)
InChIKeyGLVQUTIBWPQMTK-UHFFFAOYSA-N
XLogP0.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920590
N-(2-amino-2-ethylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107181003
N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107299247
N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178617
N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 114148900
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 114008358
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920580
N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918370
2-amino-N-(2,3-dihydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66186728
2-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]-2-ethylbutanoic acid
CID 107175829
N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184249
N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104917114

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 107180415) is N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide is CC(O)(CO)CNC(=O)C1CCCC1(C)C.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is GLVQUTIBWPQMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2)6-4-5-9(11)10(15)13-7-12(3,16)8-14/h9,14,16H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107180415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).