(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid

C10H11NO4 — CID 66823925

IUPAC(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
SMILESCOC(=O)[C@](N)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H11NO4/c1-15-9(14)10(11,8(12)13)7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyUEVCTKZPPHUKID-SNVBAGLBSA-N
MW209.20 g/mol
LogP0.10
Rot. Bonds3

About (2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid

(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid (PubChem CID 66823925) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
PubChem CID66823925
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
SMILESCOC(=O)[C@](N)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H11NO4/c1-15-9(14)10(11,8(12)13)7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyUEVCTKZPPHUKID-SNVBAGLBSA-N
XLogP0.10
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
methyl 2-methyl-2-phenylbutanoate
CID 562613
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
3-amino-3-phenylpentane-2,4-dione
CID 70119036
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
amino 2-amino-3-oxo-2-phenylbutanoate
CID 175404789
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate
CID 70380510
methyl 2-amino-2,4-dimethyl-4-phenylpentanoate
CID 14899524
2-amino-3-oxo-2-phenylheptanoic acid
CID 18980748
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
2-aminoacetaldehyde;methyl 2-amino-2,2-diphenylacetate
CID 142147252

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid (CID 66823925) is (2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid is COC(=O)[C@](N)(C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid?
The InChIKey is UEVCTKZPPHUKID-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-9(14)10(11,8(12)13)7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid?
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid has a molecular weight of 209.20 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid is sourced from PubChem (CID 66823925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).