(3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid

C11H13NO4 — CID 6995008

IUPAC(3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid
SMILESN[C@H](CC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C11H13NO4/c12-9(6-10(13)14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m1/s1
InChIKeyNJSRYBIBUXBNSW-SECBINFHSA-N
MW223.23 g/mol
LogP0.53
Rot. Bonds5

About (3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid

(3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid (PubChem CID 6995008) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid
PubChem CID6995008
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid
SMILESN[C@H](CC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C11H13NO4/c12-9(6-10(13)14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m1/s1
InChIKeyNJSRYBIBUXBNSW-SECBINFHSA-N
XLogP0.53
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid?
The IUPAC name of (3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid (CID 6995008) is (3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid.
What is the SMILES notation for (3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid?
The canonical SMILES for (3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid is N[C@H](CC(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of (3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid?
The InChIKey is NJSRYBIBUXBNSW-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO4/c12-9(6-10(13)14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid?
(3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid is sourced from PubChem (CID 6995008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).