3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide

C9H17NO3 — CID 175988294

IUPAC3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide
SMILESCC(C)OC1CC(C(N)=O)CC1O
InChIInChI=1S/C9H17NO3/c1-5(2)13-8-4-6(9(10)12)3-7(8)11/h5-8,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyAMPXPAFMLPCMFW-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.04
Rot. Bonds3

About 3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide

3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide (PubChem CID 175988294) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide
PubChem CID175988294
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide
SMILESCC(C)OC1CC(C(N)=O)CC1O
InChIInChI=1S/C9H17NO3/c1-5(2)13-8-4-6(9(10)12)3-7(8)11/h5-8,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyAMPXPAFMLPCMFW-UHFFFAOYSA-N
XLogP0.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dihydroxycyclohexane-1-carboxamide
CID 117046519
cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine
CID 171466895
propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate
CID 156832386
[(1R,2R,4S)-4-carbamoyl-2-methoxycyclopentyl] nitrate
CID 67399133
1-methyl-2-propan-2-yloxycyclopropane
CID 56606917
(3R,4R)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293919
(4S)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293813
(1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 68663178
1-[(1R,3R,4S,5R)-1,3,4-trihydroxy-5-propan-2-yloxycyclohexyl]ethanone
CID 159558719
methyl 5-carbamoyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 166848927
bicyclo[3.2.0]heptane-3-carboxamide
CID 53431016
bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 141100816

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide?
The IUPAC name of 3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide (CID 175988294) is 3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide?
The canonical SMILES for 3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide is CC(C)OC1CC(C(N)=O)CC1O.
What is the InChIKey of 3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide?
The InChIKey is AMPXPAFMLPCMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5(2)13-8-4-6(9(10)12)3-7(8)11/h5-8,11H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide?
3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-propan-2-yloxycyclopentane-1-carboxamide is sourced from PubChem (CID 175988294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).