(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid

C11H13NO4 — CID 10867909

IUPAC(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid
SMILESCOc1ccc(C(=O)C[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C11H13NO4/c1-16-8-4-2-7(3-5-8)10(13)6-9(12)11(14)15/h2-5,9H,6,12H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyTZKBKUJPNKOKHZ-SECBINFHSA-N
MW223.23 g/mol
LogP0.68
Rot. Bonds5

About (2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid

(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid (PubChem CID 10867909) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid
PubChem CID10867909
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid
SMILESCOc1ccc(C(=O)C[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C11H13NO4/c1-16-8-4-2-7(3-5-8)10(13)6-9(12)11(14)15/h2-5,9H,6,12H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyTZKBKUJPNKOKHZ-SECBINFHSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-(4-ethoxyphenyl)-4-oxobutanoic acid
CID 720517
(2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid
CID 134819868
(2R)-2-amino-4-(4-methylsulfanylphenyl)-4-oxobutanoic acid
CID 106702862
5-(4-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759684
(2S,4S)-2,4-diamino-4-(4-methoxyphenyl)butanoic acid
CID 129462911
3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one
CID 116608794
dimethyl 2-[1-(4-methoxyphenyl)-1,4-dioxopentan-3-yl]propanedioate
CID 122393832
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid
CID 11111556
(2S)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid;(2R)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 157441521
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
2-amino-4-[(4-methoxyphenyl)methyl]pentanedioic acid
CID 53396139

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid?
The IUPAC name of (2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid (CID 10867909) is (2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid is COc1ccc(C(=O)C[C@@H](N)C(=O)O)cc1.
What is the InChIKey of (2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid?
The InChIKey is TZKBKUJPNKOKHZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO4/c1-16-8-4-2-7(3-5-8)10(13)6-9(12)11(14)15/h2-5,9H,6,12H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid?
(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid is sourced from PubChem (CID 10867909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).