(2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid

C19H18N2O4 — CID 135020301

IUPAC(2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid
SMILESCC(=O)N[C@H](C[C@@]1(c2ccccc2)C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C19H18N2O4/c1-12(22)20-16(17(23)24)11-19(13-7-3-2-4-8-13)14-9-5-6-10-15(14)21-18(19)25/h2-10,16H,11H2,1H3,(H,20,22)(H,21,25)(H,23,24)/t16-,19+/m1/s1
InChIKeyAWBFUFROLUKQSN-APWZRJJASA-N
MW338.36 g/mol
LogP1.90
Rot. Bonds5

About (2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid

(2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid (PubChem CID 135020301) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid
PubChem CID135020301
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid
SMILESCC(=O)N[C@H](C[C@@]1(c2ccccc2)C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C19H18N2O4/c1-12(22)20-16(17(23)24)11-19(13-7-3-2-4-8-13)14-9-5-6-10-15(14)21-18(19)25/h2-10,16H,11H2,1H3,(H,20,22)(H,21,25)(H,23,24)/t16-,19+/m1/s1
InChIKeyAWBFUFROLUKQSN-APWZRJJASA-N
XLogP1.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[(3R)-2-oxo-3-phenyl-1H-indol-3-yl]propanoate
CID 102412348
(3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one
CID 102053540
(2-oxo-3-phenyl-1H-indol-3-yl) acetate
CID 132917487
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide
CID 148811384
2-acetamido-3-(benzyldisulfanyl)propanoic acid
CID 175403676
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid
CID 146180545
2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid
CID 71434928
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
methyl 3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 628737

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid?
The IUPAC name of (2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid (CID 135020301) is (2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid is CC(=O)N[C@H](C[C@@]1(c2ccccc2)C(=O)Nc2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid?
The InChIKey is AWBFUFROLUKQSN-APWZRJJASA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(22)20-16(17(23)24)11-19(13-7-3-2-4-8-13)14-9-5-6-10-15(14)21-18(19)25/h2-10,16H,11H2,1H3,(H,20,22)(H,21,25)(H,23,24)/t16-,19+/m1/s1.
What are the key properties of (2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid?
(2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid has a molecular weight of 338.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid is sourced from PubChem (CID 135020301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).