(2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid

C19H16ClNO4 — CID 69485526

IUPAC(2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid
SMILESCc1c([C@@H](C)C(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO4/c1-10(19(24)25)17-11(2)21(16-7-6-14(22)9-15(16)17)18(23)12-4-3-5-13(20)8-12/h3-10,22H,1-2H3,(H,24,25)/t10-/m1/s1
InChIKeyARORIXALJBFBAX-SNVBAGLBSA-N
MW357.79 g/mol
LogP4.19
Rot. Bonds3

About (2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid

(2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid (PubChem CID 69485526) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is (2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid
PubChem CID69485526
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name(2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid
SMILESCc1c([C@@H](C)C(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO4/c1-10(19(24)25)17-11(2)21(16-7-6-14(22)9-15(16)17)18(23)12-4-3-5-13(20)8-12/h3-10,22H,1-2H3,(H,24,25)/t10-/m1/s1
InChIKeyARORIXALJBFBAX-SNVBAGLBSA-N
XLogP4.19
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-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

2-[1-(3,4-dichlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 59029128
2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
CID 91518735
3-[[2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]butanoic acid
CID 69487096
(2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide
CID 69488919
(3S)-3-[3-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoylamino]butanoic acid
CID 69487263
2-[[(2R)-2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoyl]amino]acetic acid
CID 69487709
ethyl (2S)-2-[1-(3-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoate
CID 69487419
3-[2-[1-(3-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoylamino]propanoic acid
CID 69487598
2,3-bis[[(2S)-2-[1-(3,4-dichlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoyl]amino]-4-methylpentanedioic acid
CID 87892692
2-[1-(3,4-difluorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 59029121
3-[[(2S)-2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoyl]amino]propanoic acid
CID 69487453
1-(3-chlorobenzoyl)-2-methylindole-3-carbaldehyde
CID 91690380

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid?
The IUPAC name of (2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid (CID 69485526) is (2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid?
The canonical SMILES for (2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid is Cc1c([C@@H](C)C(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid?
The InChIKey is ARORIXALJBFBAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-10(19(24)25)17-11(2)21(16-7-6-14(22)9-15(16)17)18(23)12-4-3-5-13(20)8-12/h3-10,22H,1-2H3,(H,24,25)/t10-/m1/s1.
What are the key properties of (2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid?
(2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid has a molecular weight of 357.79 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid is sourced from PubChem (CID 69485526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).