(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid

C18H19NO4 — CID 124724861

IUPAC(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
SMILESCO[C@H](C(=O)NC[C@H](C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-23-16(14-10-6-3-7-11-14)17(20)19-12-15(18(21)22)13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3,(H,19,20)(H,21,22)/t15-,16-/m0/s1
InChIKeyAOBAYGWBUYYXCG-HOTGVXAUSA-N
MW313.35 g/mol
LogP2.36
Rot. Bonds7

About (2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid

(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid (PubChem CID 124724861) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
PubChem CID124724861
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
SMILESCO[C@H](C(=O)NC[C@H](C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-23-16(14-10-6-3-7-11-14)17(20)19-12-15(18(21)22)13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3,(H,19,20)(H,21,22)/t15-,16-/m0/s1
InChIKeyAOBAYGWBUYYXCG-HOTGVXAUSA-N
XLogP2.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-methoxy-2-phenylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65219999
(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
CID 95633628
4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 120689719
N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide
CID 62653112
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
2-phenyl-3-(2,3,3-trimethylbutanoylamino)propanoic acid
CID 120688095
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
[(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate
CID 139251059

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid?
The IUPAC name of (2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid (CID 124724861) is (2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for (2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid is CO[C@H](C(=O)NC[C@H](C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid?
The InChIKey is AOBAYGWBUYYXCG-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H19NO4/c1-23-16(14-10-6-3-7-11-14)17(20)19-12-15(18(21)22)13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3,(H,19,20)(H,21,22)/t15-,16-/m0/s1.
What are the key properties of (2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid?
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid has a molecular weight of 313.35 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 124724861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).