3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid

C10H17NO3 — CID 66030912

IUPAC3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-6(2)9(12)11-8-4-3-7(5-8)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyFNSWRWLNJUKHBJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.01
Rot. Bonds3

About 3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid

3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66030912) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid
PubChem CID66030912
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-6(2)9(12)11-8-4-3-7(5-8)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyFNSWRWLNJUKHBJ-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid (CID 66030912) is 3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid is CC(C)C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is FNSWRWLNJUKHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(2)9(12)11-8-4-3-7(5-8)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid?
3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).