amino 2-amino-3-oxo-2-phenylbutanoate

C10H12N2O3 — CID 175404789

IUPACamino 2-amino-3-oxo-2-phenylbutanoate
SMILESCC(=O)C(N)(C(=O)ON)c1ccccc1
InChIInChI=1S/C10H12N2O3/c1-7(13)10(11,9(14)15-12)8-5-3-2-4-6-8/h2-6H,11-12H2,1H3
InChIKeyGNNANXAJHGJJIU-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.15
Rot. Bonds3

About amino 2-amino-3-oxo-2-phenylbutanoate

amino 2-amino-3-oxo-2-phenylbutanoate (PubChem CID 175404789) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is amino 2-amino-3-oxo-2-phenylbutanoate.

Molecular Properties

Compound Nameamino 2-amino-3-oxo-2-phenylbutanoate
PubChem CID175404789
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameamino 2-amino-3-oxo-2-phenylbutanoate
SMILESCC(=O)C(N)(C(=O)ON)c1ccccc1
InChIInChI=1S/C10H12N2O3/c1-7(13)10(11,9(14)15-12)8-5-3-2-4-6-8/h2-6H,11-12H2,1H3
InChIKeyGNNANXAJHGJJIU-UHFFFAOYSA-N
XLogP-0.15
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze amino 2-amino-3-oxo-2-phenylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-phenylpentane-2,4-dione
CID 70119036
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
ethyl 2-acetyl-4-oxo-2-phenylpentanoate
CID 68562528
4,4-diphenylhexane-2,3,5-trione
CID 140640307
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
tert-butyl 2-amino-3-oxo-2-phenylpropanoate
CID 154963550
phenyl (2R)-2-amino-2-phenylpropanoate
CID 142678159
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
3-oxo-1,1-diphenylbutan-1-olate
CID 101443170
phenyl 2-amino-2,2-diphenylacetate
CID 142678162
methyl 2-oxo-3,3-diphenylbutanoate
CID 44668509

Frequently Asked Questions

What is the IUPAC name of amino 2-amino-3-oxo-2-phenylbutanoate?
The IUPAC name of amino 2-amino-3-oxo-2-phenylbutanoate (CID 175404789) is amino 2-amino-3-oxo-2-phenylbutanoate.
What is the SMILES notation for amino 2-amino-3-oxo-2-phenylbutanoate?
The canonical SMILES for amino 2-amino-3-oxo-2-phenylbutanoate is CC(=O)C(N)(C(=O)ON)c1ccccc1.
What is the InChIKey of amino 2-amino-3-oxo-2-phenylbutanoate?
The InChIKey is GNNANXAJHGJJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(13)10(11,9(14)15-12)8-5-3-2-4-6-8/h2-6H,11-12H2,1H3.
What are the key properties of amino 2-amino-3-oxo-2-phenylbutanoate?
amino 2-amino-3-oxo-2-phenylbutanoate has a molecular weight of 208.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-amino-3-oxo-2-phenylbutanoate is sourced from PubChem (CID 175404789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).