(2R)-2-acetamido-3-cyclobutylpropanoic acid

C9H15NO3 — CID 86812214

IUPAC(2R)-2-acetamido-3-cyclobutylpropanoic acid
SMILESCC(=O)N[C@H](CC1CCC1)C(=O)O
InChIInChI=1S/C9H15NO3/c1-6(11)10-8(9(12)13)5-7-3-2-4-7/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13)/t8-/m1/s1
InChIKeyDRXDVRLDPPYAFI-MRVPVSSYSA-N
MW185.22 g/mol
LogP0.77
Rot. Bonds4

About (2R)-2-acetamido-3-cyclobutylpropanoic acid

(2R)-2-acetamido-3-cyclobutylpropanoic acid (PubChem CID 86812214) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2R)-2-acetamido-3-cyclobutylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-cyclobutylpropanoic acid
PubChem CID86812214
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2R)-2-acetamido-3-cyclobutylpropanoic acid
SMILESCC(=O)N[C@H](CC1CCC1)C(=O)O
InChIInChI=1S/C9H15NO3/c1-6(11)10-8(9(12)13)5-7-3-2-4-7/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13)/t8-/m1/s1
InChIKeyDRXDVRLDPPYAFI-MRVPVSSYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-acetamido-3-cyclobutylpropanoic 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 (2R)-2-acetamido-3-cyclobutylpropanoic acid?
The IUPAC name of (2R)-2-acetamido-3-cyclobutylpropanoic acid (CID 86812214) is (2R)-2-acetamido-3-cyclobutylpropanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-cyclobutylpropanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-cyclobutylpropanoic acid is CC(=O)N[C@H](CC1CCC1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-cyclobutylpropanoic acid?
The InChIKey is DRXDVRLDPPYAFI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(11)10-8(9(12)13)5-7-3-2-4-7/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-cyclobutylpropanoic acid?
(2R)-2-acetamido-3-cyclobutylpropanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-cyclobutylpropanoic acid is sourced from PubChem (CID 86812214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).