(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid

C18H16N2O3 — CID 45491721

IUPAC(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid
SMILESO=C(Cn1ccc2ccccc21)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c21-16(12-20-11-10-13-6-4-5-9-15(13)20)19-17(18(22)23)14-7-2-1-3-8-14/h1-11,17H,12H2,(H,19,21)(H,22,23)/t17-/m1/s1
InChIKeyRIEOHOODIGXXGB-QGZVFWFLSA-N
MW308.34 g/mol
LogP2.58
Rot. Bonds5

About (2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid

(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid (PubChem CID 45491721) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid
PubChem CID45491721
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid
SMILESO=C(Cn1ccc2ccccc21)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c21-16(12-20-11-10-13-6-4-5-9-15(13)20)19-17(18(22)23)14-7-2-1-3-8-14/h1-11,17H,12H2,(H,19,21)(H,22,23)/t17-/m1/s1
InChIKeyRIEOHOODIGXXGB-QGZVFWFLSA-N
XLogP2.58
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371268
2-[(2-indol-1-ylacetyl)amino]butanoic acid
CID 119223861
(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 45496037
N'-(2-indol-1-ylacetyl)-2,2-diphenylacetohydrazide
CID 17080273
3-[(2-indol-1-ylacetyl)amino]-3-(3-methylphenyl)propanoic acid
CID 166319506
2-[(2-indol-1-ylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 56920071
2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid
CID 75117707
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N-(benzenesulfonyl)-2-indol-1-ylacetamide
CID 87044187
2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid
CID 166376773

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid (CID 45491721) is (2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid is O=C(Cn1ccc2ccccc21)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid?
The InChIKey is RIEOHOODIGXXGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-16(12-20-11-10-13-6-4-5-9-15(13)20)19-17(18(22)23)14-7-2-1-3-8-14/h1-11,17H,12H2,(H,19,21)(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid?
(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid has a molecular weight of 308.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 45491721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).