2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid

C14H16N2O3 — CID 115352566

IUPAC2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
SMILESCCC(Nc1ccc2oc(C3CC3)nc2c1)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-2-10(14(17)18)15-9-5-6-12-11(7-9)16-13(19-12)8-3-4-8/h5-8,10,15H,2-4H2,1H3,(H,17,18)
InChIKeyCBORHPDIXWXTCS-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.98
Rot. Bonds5

About 2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid

2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid (PubChem CID 115352566) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
PubChem CID115352566
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
SMILESCCC(Nc1ccc2oc(C3CC3)nc2c1)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-2-10(14(17)18)15-9-5-6-12-11(7-9)16-13(19-12)8-3-4-8/h5-8,10,15H,2-4H2,1H3,(H,17,18)
InChIKeyCBORHPDIXWXTCS-UHFFFAOYSA-N
XLogP2.98
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic 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-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide
CID 34336748
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide
CID 104683893
(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 34336590
2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81412586
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648
N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide
CID 55620148
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 122075730
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide
CID 86930482
2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 60972062
2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine
CID 115918873

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid?
The IUPAC name of 2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid (CID 115352566) is 2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid?
The canonical SMILES for 2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid is CCC(Nc1ccc2oc(C3CC3)nc2c1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid?
The InChIKey is CBORHPDIXWXTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-10(14(17)18)15-9-5-6-12-11(7-9)16-13(19-12)8-3-4-8/h5-8,10,15H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid?
2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid is sourced from PubChem (CID 115352566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).