2-(cyclobutanecarbonylamino)propanoic acid

C8H13NO3 — CID 16775400

IUPAC2-(cyclobutanecarbonylamino)propanoic acid
SMILESCC(NC(=O)C1CCC1)C(=O)O
InChIInChI=1S/C8H13NO3/c1-5(8(11)12)9-7(10)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyDDOSHTXABJZKFX-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.38
Rot. Bonds3

About 2-(cyclobutanecarbonylamino)propanoic acid

2-(cyclobutanecarbonylamino)propanoic acid (PubChem CID 16775400) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(cyclobutanecarbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(cyclobutanecarbonylamino)propanoic acid
PubChem CID16775400
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(cyclobutanecarbonylamino)propanoic acid
SMILESCC(NC(=O)C1CCC1)C(=O)O
InChIInChI=1S/C8H13NO3/c1-5(8(11)12)9-7(10)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyDDOSHTXABJZKFX-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 2-(cyclobutanecarbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarbonylamino)propanoic acid?
The IUPAC name of 2-(cyclobutanecarbonylamino)propanoic acid (CID 16775400) is 2-(cyclobutanecarbonylamino)propanoic acid.
What is the SMILES notation for 2-(cyclobutanecarbonylamino)propanoic acid?
The canonical SMILES for 2-(cyclobutanecarbonylamino)propanoic acid is CC(NC(=O)C1CCC1)C(=O)O.
What is the InChIKey of 2-(cyclobutanecarbonylamino)propanoic acid?
The InChIKey is DDOSHTXABJZKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(8(11)12)9-7(10)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(cyclobutanecarbonylamino)propanoic acid?
2-(cyclobutanecarbonylamino)propanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarbonylamino)propanoic acid is sourced from PubChem (CID 16775400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).