(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid

C18H15ClN2O3 — CID 2304951

IUPAC(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1Cl
InChIInChI=1S/C18H15ClN2O3/c19-14-7-3-1-6-13(14)17(22)21-16(18(23)24)9-11-10-20-15-8-4-2-5-12(11)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)/t16-/m1/s1
InChIKeyPIHNVMQBEJPYDL-MRXNPFEDSA-N
MW342.78 g/mol
LogP3.25
Rot. Bonds5

About (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid

(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid (PubChem CID 2304951) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
PubChem CID2304951
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1Cl
InChIInChI=1S/C18H15ClN2O3/c19-14-7-3-1-6-13(14)17(22)21-16(18(23)24)9-11-10-20-15-8-4-2-5-12(11)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)/t16-/m1/s1
InChIKeyPIHNVMQBEJPYDL-MRXNPFEDSA-N
XLogP3.25
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

CID 88873741
CID 88873741
3-(1H-indol-3-yl)-2-[(2-methoxybenzoyl)amino]propanoic acid
CID 6611948
(2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 45339906
2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 78783619
N-[1-(2-acetylhydrazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 43011742
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 19785881
(2R)-2-[(2-ethoxybenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 95066275
2-chloro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pentylamino)propan-2-yl]benzamide
CID 2099194
2-[(2,2-dichloroacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 3296637
(2R)-3-(1H-indol-3-yl)-2-[[2-[[2-[[2-(1H-indol-3-yl)acetyl]amino]benzoyl]amino]benzoyl]amino]propanoic acid
CID 101045775
2-chloro-N-[1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 24638904
(2S)-2-[3-(2-chlorophenyl)propanoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 41119859

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid (CID 2304951) is (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid is O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is PIHNVMQBEJPYDL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-7-3-1-6-13(14)17(22)21-16(18(23)24)9-11-10-20-15-8-4-2-5-12(11)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid?
(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 342.78 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 2304951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).