(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid

C19H19NO3 — CID 119372755

IUPAC(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(Cc1ccc2c(c1)CCC2)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C19H19NO3/c21-17(12-13-9-10-14-7-4-8-16(14)11-13)20-18(19(22)23)15-5-2-1-3-6-15/h1-3,5-6,9-11,18H,4,7-8,12H2,(H,20,21)(H,22,23)/t18-/m0/s1
InChIKeyREQSIGLZBCJLGA-SFHVURJKSA-N
MW309.37 g/mol
LogP2.66
Rot. Bonds5

About (2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid

(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid (PubChem CID 119372755) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid
PubChem CID119372755
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(Cc1ccc2c(c1)CCC2)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C19H19NO3/c21-17(12-13-9-10-14-7-4-8-16(14)11-13)20-18(19(22)23)15-5-2-1-3-6-15/h1-3,5-6,9-11,18H,4,7-8,12H2,(H,20,21)(H,22,23)/t18-/m0/s1
InChIKeyREQSIGLZBCJLGA-SFHVURJKSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid
CID 119201393
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid
CID 63564596
2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide
CID 95146097
2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid
CID 108804747
(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-2-phenylacetamide
CID 42377162
N-(4-hydroxybutan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 81049521
2-phenyl-2-[(2-phenylacetyl)amino]ethanethioic S-acid
CID 54430659
3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid
CID 82049898

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid (CID 119372755) is (2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid is O=C(Cc1ccc2c(c1)CCC2)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is REQSIGLZBCJLGA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19NO3/c21-17(12-13-9-10-14-7-4-8-16(14)11-13)20-18(19(22)23)15-5-2-1-3-6-15/h1-3,5-6,9-11,18H,4,7-8,12H2,(H,20,21)(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid?
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid has a molecular weight of 309.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119372755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).