3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid

C20H21NO3 — CID 126778215

IUPAC3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid
SMILESCC(CNC(=O)c1cccc2c1CCC2)(C(=O)O)c1ccccc1
InChIInChI=1S/C20H21NO3/c1-20(19(23)24,15-9-3-2-4-10-15)13-21-18(22)17-12-6-8-14-7-5-11-16(14)17/h2-4,6,8-10,12H,5,7,11,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyHLABOMPHJSPYJX-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.95
Rot. Bonds5

About 3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid

3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid (PubChem CID 126778215) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid
PubChem CID126778215
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid
SMILESCC(CNC(=O)c1cccc2c1CCC2)(C(=O)O)c1ccccc1
InChIInChI=1S/C20H21NO3/c1-20(19(23)24,15-9-3-2-4-10-15)13-21-18(22)17-12-6-8-14-7-5-11-16(14)17/h2-4,6,8-10,12H,5,7,11,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyHLABOMPHJSPYJX-UHFFFAOYSA-N
XLogP2.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid
CID 120688590
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)propanoic acid
CID 104558852
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701614
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120700700
2-methyl-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 120701412
N-[(1-pyridin-2-ylcyclopropyl)methyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126807843
2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 120701287
2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid
CID 120686820
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701332

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid (CID 126778215) is 3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid is CC(CNC(=O)c1cccc2c1CCC2)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid?
The InChIKey is HLABOMPHJSPYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(19(23)24,15-9-3-2-4-10-15)13-21-18(22)17-12-6-8-14-7-5-11-16(14)17/h2-4,6,8-10,12H,5,7,11,13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid?
3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid has a molecular weight of 323.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 126778215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).