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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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).