2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid

C11H11N3O4 — CID 16774090

IUPAC2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(NC(Cc1cnc[nH]1)C(=O)O)c1ccco1
InChIInChI=1S/C11H11N3O4/c15-10(9-2-1-3-18-9)14-8(11(16)17)4-7-5-12-6-13-7/h1-3,5-6,8H,4H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyWWZNFMWTEPEWJK-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.43
Rot. Bonds5

About 2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid

2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 16774090) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID16774090
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(NC(Cc1cnc[nH]1)C(=O)O)c1ccco1
InChIInChI=1S/C11H11N3O4/c15-10(9-2-1-3-18-9)14-8(11(16)17)4-7-5-12-6-13-7/h1-3,5-6,8H,4H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyWWZNFMWTEPEWJK-UHFFFAOYSA-N
XLogP0.43
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)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

(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 106683292
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175906172
(2R)-2-(benzylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 11055328
(2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid
CID 30051636
(2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777479
2-[(4-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 43184154
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methylbenzoyl)amino]propanoic acid
CID 30047772
(2R)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 736161
(2R)-2-(benzylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 22798985
2-[(4-bromobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 16771532
3-(1H-imidazol-5-yl)-2-[(4-methylbenzoyl)amino]propanoic acid
CID 16778480
2-[(3-chlorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 16773784

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of 2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid (CID 16774090) is 2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid is O=C(NC(Cc1cnc[nH]1)C(=O)O)c1ccco1.
What is the InChIKey of 2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is WWZNFMWTEPEWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-10(9-2-1-3-18-9)14-8(11(16)17)4-7-5-12-6-13-7/h1-3,5-6,8H,4H2,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 249.23 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 16774090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).