2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid

C23H26N2O4 — CID 54183225

IUPAC2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)N(CC(=O)O)C1Cc2ccccc2C1
InChIInChI=1S/C23H26N2O4/c1-15(2)21(24-22(28)16-8-4-3-5-9-16)23(29)25(14-20(26)27)19-12-17-10-6-7-11-18(17)13-19/h3-11,15,19,21H,12-14H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyPDIJNPMBVOJCFP-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.52
Rot. Bonds7

About 2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid

2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid (PubChem CID 54183225) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
PubChem CID54183225
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)N(CC(=O)O)C1Cc2ccccc2C1
InChIInChI=1S/C23H26N2O4/c1-15(2)21(24-22(28)16-8-4-3-5-9-16)23(29)25(14-20(26)27)19-12-17-10-6-7-11-18(17)13-19/h3-11,15,19,21H,12-14H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyPDIJNPMBVOJCFP-UHFFFAOYSA-N
XLogP2.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]benzoate
CID 70049334
3-[[2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetyl]amino]-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxobutanoic acid
CID 54393543
benzyl N-[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 73349817
2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 54473061
4-N-(4-chlorophenyl)sulfonyl-1-N-[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-oxo-2-[(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)amino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzene-1,4-dicarboxamide
CID 73348251
2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
CID 65057984
(3S)-3-[[2-[[(2S)-2-(1,3-benzodioxole-5-carbonylamino)-3-methylbutanoyl]-(2,3-dihydro-1H-inden-2-yl)amino]acetyl]amino]-4-[4-(3,5-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxobutanoic acid
CID 54410534
(3S)-3-[[2-[[(2S)-2-benzamido-3-methylbutanoyl]-benzylamino]acetyl]amino]-4-oxobutanoic acid
CID 54405243
N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 112812559
2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[(4-oxo-3-phenyl-1-propoxybut-3-enyl)amino]propanoyl]amino]acetic acid
CID 88712292
benzyl (2S)-2-benzamido-3-methylbutanoate
CID 689908
2-[2-benzamidopropanoyl(propan-2-yl)amino]acetic acid
CID 60830693

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid?
The IUPAC name of 2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid (CID 54183225) is 2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid is CC(C)C(NC(=O)c1ccccc1)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.
What is the InChIKey of 2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid?
The InChIKey is PDIJNPMBVOJCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15(2)21(24-22(28)16-8-4-3-5-9-16)23(29)25(14-20(26)27)19-12-17-10-6-7-11-18(17)13-19/h3-11,15,19,21H,12-14H2,1-2H3,(H,24,28)(H,26,27).
What are the key properties of 2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid?
2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid has a molecular weight of 394.47 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid is sourced from PubChem (CID 54183225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).