methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate

C10H11NO4 — CID 70380510

IUPACmethyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate
SMILESCOC(=O)C(N)(O)C(=O)c1ccccc1
InChIInChI=1S/C10H11NO4/c1-15-9(13)10(11,14)8(12)7-5-3-2-4-6-7/h2-6,14H,11H2,1H3
InChIKeyIDWTVUXRRZPGNF-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.31
Rot. Bonds3

About methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate

methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate (PubChem CID 70380510) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate
PubChem CID70380510
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate
SMILESCOC(=O)C(N)(O)C(=O)c1ccccc1
InChIInChI=1S/C10H11NO4/c1-15-9(13)10(11,14)8(12)7-5-3-2-4-6-7/h2-6,14H,11H2,1H3
InChIKeyIDWTVUXRRZPGNF-UHFFFAOYSA-N
XLogP-0.31
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,2-dihydroxy-3-oxo-3-phenylpropanoate
CID 10081832
methyl 2-benzoyl-2-hydroxy-3-oxobutanoate
CID 59771887
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone
CID 102359954
methyl 2-benzoyl-2-dimethoxyphosphoryl-3-oxo-3-phenylpropanoate
CID 12938764
methyl 2-benzoyl-2-fluorobutanoate
CID 169171309
dimethyl 2-[amino(benzoyl)amino]-2-hydroxypropanedioate
CID 22213779
methyl 2-benzoyl-2-(diaminomethylideneamino)butanoate
CID 174694704
methyl 2-(furan-2-yloxy)-2-hydroxy-3-oxo-3-phenylpropanoate
CID 154200263
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
3-amino-2-methoxy-4-oxo-3,4-diphenylbutanoic acid
CID 174524672

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate?
The IUPAC name of methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate (CID 70380510) is methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate.
What is the SMILES notation for methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate?
The canonical SMILES for methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate is COC(=O)C(N)(O)C(=O)c1ccccc1.
What is the InChIKey of methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate?
The InChIKey is IDWTVUXRRZPGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-9(13)10(11,14)8(12)7-5-3-2-4-6-7/h2-6,14H,11H2,1H3.
What are the key properties of methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate?
methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate has a molecular weight of 209.20 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate is sourced from PubChem (CID 70380510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).