3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid

C14H18N2O4 — CID 63118458

IUPAC3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid
SMILESNc1ccccc1N(CCC(=O)O)C(=O)C1CCOC1
InChIInChI=1S/C14H18N2O4/c15-11-3-1-2-4-12(11)16(7-5-13(17)18)14(19)10-6-8-20-9-10/h1-4,10H,5-9,15H2,(H,17,18)
InChIKeyZGJQNSRQMCCQDG-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.11
Rot. Bonds5

About 3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid

3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid (PubChem CID 63118458) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid
PubChem CID63118458
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid
SMILESNc1ccccc1N(CCC(=O)O)C(=O)C1CCOC1
InChIInChI=1S/C14H18N2O4/c15-11-3-1-2-4-12(11)16(7-5-13(17)18)14(19)10-6-8-20-9-10/h1-4,10H,5-9,15H2,(H,17,18)
InChIKeyZGJQNSRQMCCQDG-UHFFFAOYSA-N
XLogP1.11
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[2-amino-N-(oxolane-3-carbonyl)anilino]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

3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
CID 28764280
N-(furan-2-ylmethyl)-N-phenyloxolane-3-carboxamide
CID 5047915
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253
3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid
CID 60831633
3-[(2,3-difluorophenyl)methyl-[(3S)-oxolane-3-carbonyl]amino]propanoic acid
CID 124704329
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid
CID 63118482
(3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 95629587
3-[2-amino-N-(3-hydroxypropyl)anilino]propanoic acid
CID 63118484
N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide
CID 141090307
N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide
CID 63011480
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide
CID 61272179

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid?
The IUPAC name of 3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid (CID 63118458) is 3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid.
What is the SMILES notation for 3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid?
The canonical SMILES for 3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid is Nc1ccccc1N(CCC(=O)O)C(=O)C1CCOC1.
What is the InChIKey of 3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid?
The InChIKey is ZGJQNSRQMCCQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-11-3-1-2-4-12(11)16(7-5-13(17)18)14(19)10-6-8-20-9-10/h1-4,10H,5-9,15H2,(H,17,18).
What are the key properties of 3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid?
3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid is sourced from PubChem (CID 63118458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).