(3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid

C15H15FN2O3 — CID 97315397

IUPAC(3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCn1cccc1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3/c1-18-8-2-3-13(18)15(21)17-12(9-14(19)20)10-4-6-11(16)7-5-10/h2-8,12H,9H2,1H3,(H,17,21)(H,19,20)/t12-/m1/s1
InChIKeyYDGVUVPZQSFXMS-GFCCVEGCSA-N
MW290.29 g/mol
LogP2.11
Rot. Bonds5

About (3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid

(3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 97315397) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
PubChem CID97315397
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name(3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCn1cccc1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3/c1-18-8-2-3-13(18)15(21)17-12(9-14(19)20)10-4-6-11(16)7-5-10/h2-8,12H,9H2,1H3,(H,17,21)(H,19,20)/t12-/m1/s1
InChIKeyYDGVUVPZQSFXMS-GFCCVEGCSA-N
XLogP2.11
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-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

(3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 97209274
3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid
CID 167977206
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide
CID 131919960
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
3-(4-fluorophenyl)-3-[(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119169568
methyl (2S)-2-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoate
CID 99837242
(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
CID 135070527
(3S)-3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 783067
(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469589

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid (CID 97315397) is (3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid is Cn1cccc1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is YDGVUVPZQSFXMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-18-8-2-3-13(18)15(21)17-12(9-14(19)20)10-4-6-11(16)7-5-10/h2-8,12H,9H2,1H3,(H,17,21)(H,19,20)/t12-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
(3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 290.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 97315397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).