(2S)-2-[(2,2-diphenylacetyl)amino]propanoate

C17H16NO3- — CID 6946270

IUPAC(2S)-2-[(2,2-diphenylacetyl)amino]propanoate
SMILESC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C17H17NO3/c1-12(17(20)21)18-16(19)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,19)(H,20,21)/p-1/t12-/m0/s1
InChIKeyQGOLQRHBIUSBRQ-LBPRGKRZSA-M
MW282.32 g/mol
LogP1.07
Rot. Bonds5

About (2S)-2-[(2,2-diphenylacetyl)amino]propanoate

(2S)-2-[(2,2-diphenylacetyl)amino]propanoate (PubChem CID 6946270) has the molecular formula C17H16NO3- and a molecular weight of 282.32 g/mol. Its IUPAC name is (2S)-2-[(2,2-diphenylacetyl)amino]propanoate.

Molecular Properties

Compound Name(2S)-2-[(2,2-diphenylacetyl)amino]propanoate
PubChem CID6946270
Molecular FormulaC17H16NO3-
Molecular Weight282.32 g/mol
Exact Mass282.11
IUPAC Name(2S)-2-[(2,2-diphenylacetyl)amino]propanoate
SMILESC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C17H17NO3/c1-12(17(20)21)18-16(19)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,19)(H,20,21)/p-1/t12-/m0/s1
InChIKeyQGOLQRHBIUSBRQ-LBPRGKRZSA-M
XLogP1.07
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-2,2-diphenylacetamide
CID 78856864
N-butan-2-yl-2,2-diphenylacetamide
CID 3094060
2-[(2,2-diphenylacetyl)amino]-N-(2-methylphenyl)propanamide
CID 42702223
N-[(1R)-1-cyclopropylethyl]-2,2-diphenylacetamide
CID 8855432
(2R)-2-[(2,2-diphenylacetyl)amino]hexanoate
CID 7459794
2-anilinopropanoate
CID 19754798
(2R)-2-anilinopropanoate
CID 6946450
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
chloranium 2,2-diphenylacetate
CID 162326731
N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide
CID 45370794
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,2-diphenylacetyl)amino]propanoate?
The IUPAC name of (2S)-2-[(2,2-diphenylacetyl)amino]propanoate (CID 6946270) is (2S)-2-[(2,2-diphenylacetyl)amino]propanoate.
What is the SMILES notation for (2S)-2-[(2,2-diphenylacetyl)amino]propanoate?
The canonical SMILES for (2S)-2-[(2,2-diphenylacetyl)amino]propanoate is C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-].
What is the InChIKey of (2S)-2-[(2,2-diphenylacetyl)amino]propanoate?
The InChIKey is QGOLQRHBIUSBRQ-LBPRGKRZSA-M. The full InChI is InChI=1S/C17H17NO3/c1-12(17(20)21)18-16(19)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,19)(H,20,21)/p-1/t12-/m0/s1.
What are the key properties of (2S)-2-[(2,2-diphenylacetyl)amino]propanoate?
(2S)-2-[(2,2-diphenylacetyl)amino]propanoate has a molecular weight of 282.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,2-diphenylacetyl)amino]propanoate is sourced from PubChem (CID 6946270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).