3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid

C14H15N3O4 — CID 57004426

IUPAC3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)NC(Cc2ncc[nH]2)C(=O)O)cc1
InChIInChI=1S/C14H15N3O4/c1-21-10-4-2-9(3-5-10)13(18)17-11(14(19)20)8-12-15-6-7-16-12/h2-7,11H,8H2,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyYGZBULRLBIJROD-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.84
Rot. Bonds6

About 3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid

3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid (PubChem CID 57004426) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid
PubChem CID57004426
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)NC(Cc2ncc[nH]2)C(=O)O)cc1
InChIInChI=1S/C14H15N3O4/c1-21-10-4-2-9(3-5-10)13(18)17-11(14(19)20)8-12-15-6-7-16-12/h2-7,11H,8H2,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyYGZBULRLBIJROD-UHFFFAOYSA-N
XLogP0.84
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(1H-imidazol-5-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid
CID 697445
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
2-[(4-methoxybenzoyl)amino]pentanedioic acid
CID 23136259
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 82780991
4-ethylsulfanyl-2-[(4-methoxybenzoyl)amino]butanoic acid
CID 108766775
(2R)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2497560
(2S)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2497555
2-[(4-methoxybenzoyl)amino]-3-[4-(4-methoxybenzoyl)oxyphenyl]propanoic acid
CID 2907634
(2S)-6-amino-2-[(4-methoxybenzoyl)amino]hexanoic acid
CID 54464551
N-[1-(1H-imidazol-2-yl)-2-phenoxypropyl]-4-methoxybenzamide
CID 67227378
1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea
CID 126739196

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid (CID 57004426) is 3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid is COc1ccc(C(=O)NC(Cc2ncc[nH]2)C(=O)O)cc1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid?
The InChIKey is YGZBULRLBIJROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-21-10-4-2-9(3-5-10)13(18)17-11(14(19)20)8-12-15-6-7-16-12/h2-7,11H,8H2,1H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid?
3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid has a molecular weight of 289.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 57004426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).