(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid

C17H21N3O6 — CID 175734272

IUPAC(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid
SMILESNC(=O)O.NC(=O)O.N[C@H](C(=O)O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO2.2CH3NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*2-1(3)4/h1-10,13-14H,16H2,(H,17,18);2*2H2,(H,3,4)/t14-;;/m0../s1
InChIKeyJTXLYILUOFJGMO-UTLKBRERSA-N
MW363.37 g/mol
LogP1.48
Rot. Bonds4

About (2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid

(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid (PubChem CID 175734272) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is (2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid.

Molecular Properties

Compound Name(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid
PubChem CID175734272
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC Name(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid
SMILESNC(=O)O.NC(=O)O.N[C@H](C(=O)O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO2.2CH3NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*2-1(3)4/h1-10,13-14H,16H2,(H,17,18);2*2H2,(H,3,4)/t14-;;/m0../s1
InChIKeyJTXLYILUOFJGMO-UTLKBRERSA-N
XLogP1.48
TPSA189.96 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.37
LogP ≤ 51.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
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CID 66621998
(2S)-2-amino-3-iodo-3-phenylpropanoic acid
CID 69344520
2-amino-3-chloro-3-phenylpropanoic acid
CID 5001395
(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
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(2S)-2-amino-3,3-bis[4-(trifluoromethyl)phenyl]propanoic acid
CID 25107037
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2S)-2-amino-3-cyclohexa-1,3-dien-1-yl-3-phenylpropanoic acid
CID 71096762
CID 172809734
CID 172809734
(2S,3S)-2-amino-3-phenylpentanedioic acid
CID 907743

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid?
The IUPAC name of (2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid (CID 175734272) is (2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid.
What is the SMILES notation for (2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid?
The canonical SMILES for (2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid is NC(=O)O.NC(=O)O.N[C@H](C(=O)O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid?
The InChIKey is JTXLYILUOFJGMO-UTLKBRERSA-N. The full InChI is InChI=1S/C15H15NO2.2CH3NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*2-1(3)4/h1-10,13-14H,16H2,(H,17,18);2*2H2,(H,3,4)/t14-;;/m0../s1.
What are the key properties of (2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid?
(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid has a molecular weight of 363.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid is sourced from PubChem (CID 175734272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).