(2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid

C18H19NO4 — CID 91872641

IUPAC(2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid
SMILESN[C@@](CC(=O)OCc1ccccc1)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H19NO4/c19-18(17(21)22,11-14-7-3-1-4-8-14)12-16(20)23-13-15-9-5-2-6-10-15/h1-10H,11-13,19H2,(H,21,22)/t18-/m1/s1
InChIKeyUZRYYUHHPZHBTJ-GOSISDBHSA-N
MW313.35 g/mol
LogP2.14
Rot. Bonds7

About (2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid

(2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid (PubChem CID 91872641) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid
PubChem CID91872641
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid
SMILESN[C@@](CC(=O)OCc1ccccc1)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H19NO4/c19-18(17(21)22,11-14-7-3-1-4-8-14)12-16(20)23-13-15-9-5-2-6-10-15/h1-10H,11-13,19H2,(H,21,22)/t18-/m1/s1
InChIKeyUZRYYUHHPZHBTJ-GOSISDBHSA-N
XLogP2.14
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tribenzyl 2-aminopropane-1,2,3-tricarboxylate
CID 44511346
dibenzyl (2R)-2-benzyl-2-hydroxybutanedioate
CID 102160237
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 2-aminoacetate;hydrochloride
CID 11701227
(2S)-2,4-diamino-2-benzylbutanoic acid
CID 70154199
benzyl 4-amino-3,3-dimethyl-4-oxobutanoate
CID 160826290
benzyl 3,3,4-trimethylpentanoate
CID 162413973
benzyl 3,3-dimethoxybutanoate
CID 134185532
benzyl propanoate;hydrochloride
CID 140986165
2-amino-2-benzylpentanoic acid
CID 24974249
benzyl 2-aminoacetate
CID 122130027

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid?
The IUPAC name of (2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid (CID 91872641) is (2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid.
What is the SMILES notation for (2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid?
The canonical SMILES for (2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid is N[C@@](CC(=O)OCc1ccccc1)(Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid?
The InChIKey is UZRYYUHHPZHBTJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19NO4/c19-18(17(21)22,11-14-7-3-1-4-8-14)12-16(20)23-13-15-9-5-2-6-10-15/h1-10H,11-13,19H2,(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid?
(2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid has a molecular weight of 313.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-benzyl-4-oxo-4-phenylmethoxybutanoic acid is sourced from PubChem (CID 91872641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).