(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid

C15H15NO3 — CID 168862010

IUPAC(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid
SMILESN[C@H](C(=O)O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3/c16-13(14(17)18)15(19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,19H,16H2,(H,17,18)/t13-/m1/s1
InChIKeyXDTARQFEXRFGLR-CYBMUJFWSA-N
MW257.29 g/mol
LogP1.33
Rot. Bonds4

About (2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid

(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid (PubChem CID 168862010) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid
PubChem CID168862010
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid
SMILESN[C@H](C(=O)O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3/c16-13(14(17)18)15(19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,19H,16H2,(H,17,18)/t13-/m1/s1
InChIKeyXDTARQFEXRFGLR-CYBMUJFWSA-N
XLogP1.33
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid
CID 7128426
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride
CID 178200685
2-chloro-3-hydroxy-3,3-diphenylpropanoic acid
CID 87898633
(2R,3R)-2-amino-4-chloro-4,4-difluoro-3-hydroxy-3-phenylbutanoic acid
CID 10611751
(3S)-3-amino-2-benzyl-2-hydroxybutanedioic acid
CID 123310033
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233
2-[dihydroxy(phenyl)methyl]propanedioic acid
CID 67817052
(3S)-3-amino-4-methyl-4-phenylpentan-2-one
CID 138709724
(2S)-2-amino-N-[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]propanamide
CID 177480073
2-amino-1-(4-methylphenyl)-1-phenylpropan-1-ol
CID 19358994
(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid
CID 106702814

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid (CID 168862010) is (2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid is N[C@H](C(=O)O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid?
The InChIKey is XDTARQFEXRFGLR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15NO3/c16-13(14(17)18)15(19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,19H,16H2,(H,17,18)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid?
(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid has a molecular weight of 257.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid is sourced from PubChem (CID 168862010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).