3-acetamidocyclopentane-1-carboxylic acid

C8H13NO3 — CID 65439115

IUPAC3-acetamidocyclopentane-1-carboxylic acid
SMILESCC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C8H13NO3/c1-5(10)9-7-3-2-6(4-7)8(11)12/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyRTROTIBCXIREDW-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.38
Rot. Bonds2

About 3-acetamidocyclopentane-1-carboxylic acid

3-acetamidocyclopentane-1-carboxylic acid (PubChem CID 65439115) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-acetamidocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-acetamidocyclopentane-1-carboxylic acid
PubChem CID65439115
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-acetamidocyclopentane-1-carboxylic acid
SMILESCC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C8H13NO3/c1-5(10)9-7-3-2-6(4-7)8(11)12/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyRTROTIBCXIREDW-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetamidocyclopentane-1-carboxylic acid?
The IUPAC name of 3-acetamidocyclopentane-1-carboxylic acid (CID 65439115) is 3-acetamidocyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-acetamidocyclopentane-1-carboxylic acid?
The canonical SMILES for 3-acetamidocyclopentane-1-carboxylic acid is CC(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-acetamidocyclopentane-1-carboxylic acid?
The InChIKey is RTROTIBCXIREDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(10)9-7-3-2-6(4-7)8(11)12/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-acetamidocyclopentane-1-carboxylic acid?
3-acetamidocyclopentane-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidocyclopentane-1-carboxylic acid is sourced from PubChem (CID 65439115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).