(2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid

C11H12N4O4 — CID 28777479

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)on1
InChIInChI=1S/C11H12N4O4/c1-6-2-9(19-15-6)10(16)14-8(11(17)18)3-7-4-12-5-13-7/h2,4-5,8H,3H2,1H3,(H,12,13)(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyPGDQUVTYDBERDI-MRVPVSSYSA-N
MW264.24 g/mol
LogP0.13
Rot. Bonds5

About (2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid

(2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 28777479) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID28777479
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)on1
InChIInChI=1S/C11H12N4O4/c1-6-2-9(19-15-6)10(16)14-8(11(17)18)3-7-4-12-5-13-7/h2,4-5,8H,3H2,1H3,(H,12,13)(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyPGDQUVTYDBERDI-MRVPVSSYSA-N
XLogP0.13
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)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

3-(1H-imidazol-5-yl)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 16774910
2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16774090
3-(1H-imidazol-5-yl)-2-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 107864154
3-(1H-imidazol-5-yl)-2-[(4-methylbenzoyl)amino]propanoic acid
CID 16778480
4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61242547
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62829195
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methylbenzoyl)amino]propanoic acid
CID 30047772
5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid
CID 123421350
(2S)-2-[(2-chloroacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 156779892
(2R)-2-[(3,5-dibromobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107971712
3-(1H-imidazol-5-yl)-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid
CID 79803400
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175906172

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 28777479) is (2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid is Cc1cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)on1.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is PGDQUVTYDBERDI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-6-2-9(19-15-6)10(16)14-8(11(17)18)3-7-4-12-5-13-7/h2,4-5,8H,3H2,1H3,(H,12,13)(H,14,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 264.24 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28777479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).