3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid

C15H18N2O4 — CID 60838868

IUPAC3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid
SMILESO=C(O)CCN(CCn1c(=O)oc2ccccc21)C1CC1
InChIInChI=1S/C15H18N2O4/c18-14(19)7-8-16(11-5-6-11)9-10-17-12-3-1-2-4-13(12)21-15(17)20/h1-4,11H,5-10H2,(H,18,19)
InChIKeyTXUJOSBQNADYQE-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.53
Rot. Bonds7

About 3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid

3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid (PubChem CID 60838868) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid
PubChem CID60838868
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid
SMILESO=C(O)CCN(CCn1c(=O)oc2ccccc21)C1CC1
InChIInChI=1S/C15H18N2O4/c18-14(19)7-8-16(11-5-6-11)9-10-17-12-3-1-2-4-13(12)21-15(17)20/h1-4,11H,5-10H2,(H,18,19)
InChIKeyTXUJOSBQNADYQE-UHFFFAOYSA-N
XLogP1.53
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]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

Related Compounds

N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8728306
N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7023942
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 126772645
N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32744912
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 53499763
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
3-[2-[[(2R,4R)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]ethyl]-1,3-benzoxazol-2-one
CID 124853601
3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one
CID 27374839
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122001108
3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one
CID 9318182

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid (CID 60838868) is 3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid is O=C(O)CCN(CCn1c(=O)oc2ccccc21)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid?
The InChIKey is TXUJOSBQNADYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(19)7-8-16(11-5-6-11)9-10-17-12-3-1-2-4-13(12)21-15(17)20/h1-4,11H,5-10H2,(H,18,19).
What are the key properties of 3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid?
3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid is sourced from PubChem (CID 60838868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).