2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid

C20H21NO3 — CID 119347606

IUPAC2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)C1CCc2ccccc21
InChIInChI=1S/C20H21NO3/c22-19(23)14-21(13-12-15-6-2-1-3-7-15)20(24)18-11-10-16-8-4-5-9-17(16)18/h1-9,18H,10-14H2,(H,22,23)
InChIKeyZBPKSTJRVQHLDX-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.87
Rot. Bonds6

About 2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid

2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid (PubChem CID 119347606) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid
PubChem CID119347606
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)C1CCc2ccccc21
InChIInChI=1S/C20H21NO3/c22-19(23)14-21(13-12-15-6-2-1-3-7-15)20(24)18-11-10-16-8-4-5-9-17(16)18/h1-9,18H,10-14H2,(H,22,23)
InChIKeyZBPKSTJRVQHLDX-UHFFFAOYSA-N
XLogP2.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic 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-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597
2-[1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carbonyl(2-phenylethyl)amino]acetic acid
CID 146136997
2-[benzyl-[(7R)-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl]amino]acetic acid
CID 164641554
2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid
CID 119197661
2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347235
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61233966
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 120884804
1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one
CID 130257594
2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347195
2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347295
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65446449

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid (CID 119347606) is 2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)C1CCc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid?
The InChIKey is ZBPKSTJRVQHLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-19(23)14-21(13-12-15-6-2-1-3-7-15)20(24)18-11-10-16-8-4-5-9-17(16)18/h1-9,18H,10-14H2,(H,22,23).
What are the key properties of 2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid?
2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid has a molecular weight of 323.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).