3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid

C13H13N3O4 — CID 63118482

IUPAC3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid
SMILESNc1ccccc1N(CCC(=O)O)C(=O)c1ccon1
InChIInChI=1S/C13H13N3O4/c14-9-3-1-2-4-11(9)16(7-5-12(17)18)13(19)10-6-8-20-15-10/h1-4,6,8H,5,7,14H2,(H,17,18)
InChIKeyQEVQNLOSPHUBSJ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.38
Rot. Bonds5

About 3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid

3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid (PubChem CID 63118482) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid
PubChem CID63118482
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid
SMILESNc1ccccc1N(CCC(=O)O)C(=O)c1ccon1
InChIInChI=1S/C13H13N3O4/c14-9-3-1-2-4-11(9)16(7-5-12(17)18)13(19)10-6-8-20-15-10/h1-4,6,8H,5,7,14H2,(H,17,18)
InChIKeyQEVQNLOSPHUBSJ-UHFFFAOYSA-N
XLogP1.38
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-N-(thiadiazole-5-carbonyl)anilino]propanoic acid
CID 65215877
3-[2-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 63118555
3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid
CID 63118458
3-[2-amino-N-(3-methylpentanoyl)anilino]propanoic acid
CID 114873529
3-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)propanoic acid
CID 103017880
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
3-[2-amino-N-(5-hydroxypentyl)anilino]propanoic acid
CID 63118452
2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid
CID 107434738
3-[2-amino-N-(3-hydroxypropyl)anilino]propanoic acid
CID 63118484
N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide
CID 63229882

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid?
The IUPAC name of 3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid (CID 63118482) is 3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid.
What is the SMILES notation for 3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid?
The canonical SMILES for 3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid is Nc1ccccc1N(CCC(=O)O)C(=O)c1ccon1.
What is the InChIKey of 3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid?
The InChIKey is QEVQNLOSPHUBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c14-9-3-1-2-4-11(9)16(7-5-12(17)18)13(19)10-6-8-20-15-10/h1-4,6,8H,5,7,14H2,(H,17,18).
What are the key properties of 3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid?
3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid has a molecular weight of 275.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid is sourced from PubChem (CID 63118482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).