2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid

C15H16N2O4 — CID 119213480

IUPAC2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid
SMILESO=C(CCc1nc2ccccc2o1)NC(C(=O)O)C1CC1
InChIInChI=1S/C15H16N2O4/c18-12(17-14(15(19)20)9-5-6-9)7-8-13-16-10-3-1-2-4-11(10)21-13/h1-4,9,14H,5-8H2,(H,17,18)(H,19,20)
InChIKeyFSIQJXGAFUJMJH-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.74
Rot. Bonds6

About 2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid

2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid (PubChem CID 119213480) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid
PubChem CID119213480
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid
SMILESO=C(CCc1nc2ccccc2o1)NC(C(=O)O)C1CC1
InChIInChI=1S/C15H16N2O4/c18-12(17-14(15(19)20)9-5-6-9)7-8-13-16-10-3-1-2-4-11(10)21-13/h1-4,9,14H,5-8H2,(H,17,18)(H,19,20)
InChIKeyFSIQJXGAFUJMJH-UHFFFAOYSA-N
XLogP1.74
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]propanoic acid
CID 119238117
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]hexanoic acid
CID 120614345
4-[3-(1,3-benzoxazol-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201127
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999
3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 100510503
2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 62696305
3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 9428837
3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide
CID 9403814
2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid
CID 62696875
2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid
CID 120521290
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-phenylbutanoic acid
CID 119201844

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid (CID 119213480) is 2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid is O=C(CCc1nc2ccccc2o1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid?
The InChIKey is FSIQJXGAFUJMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-12(17-14(15(19)20)9-5-6-9)7-8-13-16-10-3-1-2-4-11(10)21-13/h1-4,9,14H,5-8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid?
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid has a molecular weight of 288.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 119213480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).