3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid

C15H17N3O4 — CID 894259

IUPAC3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
SMILESCOc1ccc(-c2ccc(CCC(=O)O)n2NC(N)=O)cc1
InChIInChI=1S/C15H17N3O4/c1-22-12-6-2-10(3-7-12)13-8-4-11(5-9-14(19)20)18(13)17-15(16)21/h2-4,6-8H,5,9H2,1H3,(H,19,20)(H3,16,17,21)
InChIKeyBBGJWFDANCJNIM-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.80
Rot. Bonds6

About 3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid

3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid (PubChem CID 894259) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
PubChem CID894259
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
SMILESCOc1ccc(-c2ccc(CCC(=O)O)n2NC(N)=O)cc1
InChIInChI=1S/C15H17N3O4/c1-22-12-6-2-10(3-7-12)13-8-4-11(5-9-14(19)20)18(13)17-15(16)21/h2-4,6-8H,5,9H2,1H3,(H,19,20)(H3,16,17,21)
InChIKeyBBGJWFDANCJNIM-UHFFFAOYSA-N
XLogP1.80
TPSA106.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-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

3-[1-{[(4-hydroxyphenyl)carbonyl]amino}-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 1319172
3-[5-(4-Methoxyphenyl)-1-propyl-2-pyrrolyl]propanoic acid
CID 893444
3-[5-(4-Methoxyphenyl)-1-prop-2-enyl-2-pyrrolyl]propanoic acid
CID 893702
3-[1-isopropyl-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 894399
3-[1-[(4-tert-butylbenzoyl)amino]-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 1255371
3-[1-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 750852
3-Amino-4-[3-(4I-methoxyphenyl)-1-phenyl-1H-pyrazol-5-yl)methylene]-1H-pyrazol-5(4H)-one (1d)
CID 91899690
3-[5-(4-methoxyphenyl)-1-(2-methylpropyl)-1H-pyrrol-2-yl]propanoic acid
CID 954351
3-[5-(4-Methoxy-phenyl)-1H-pyrrol-2-yl]-propionic acid
CID 687913
3-{1-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1H-pyrrol-2-yl}propanoic acid
CID 1317008
3,3'-[5-(4-methoxyphenyl)-1H-pyrrole-1,2-diyl]dipropanoic acid
CID 894283
3-[1-butyl-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 2193510

Frequently Asked Questions

What is the IUPAC name of 3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid?
The IUPAC name of 3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid (CID 894259) is 3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid is COc1ccc(-c2ccc(CCC(=O)O)n2NC(N)=O)cc1.
What is the InChIKey of 3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid?
The InChIKey is BBGJWFDANCJNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-12-6-2-10(3-7-12)13-8-4-11(5-9-14(19)20)18(13)17-15(16)21/h2-4,6-8H,5,9H2,1H3,(H,19,20)(H3,16,17,21).
What are the key properties of 3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid?
3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid has a molecular weight of 303.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(carbamoylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid is sourced from PubChem (CID 894259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).