2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid

C12H14N2O5 — CID 88652446

IUPAC2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid
SMILESCC(C(=O)NO)(C(=O)NCC(=O)O)c1ccccc1
InChIInChI=1S/C12H14N2O5/c1-12(11(18)14-19,8-5-3-2-4-6-8)10(17)13-7-9(15)16/h2-6,19H,7H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyLJDMULLDDKIKAK-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.35
Rot. Bonds5

About 2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid

2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid (PubChem CID 88652446) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid
PubChem CID88652446
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid
SMILESCC(C(=O)NO)(C(=O)NCC(=O)O)c1ccccc1
InChIInChI=1S/C12H14N2O5/c1-12(11(18)14-19,8-5-3-2-4-6-8)10(17)13-7-9(15)16/h2-6,19H,7H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyLJDMULLDDKIKAK-UHFFFAOYSA-N
XLogP-0.35
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(carboxymethylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 54868024
N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide
CID 64991414
2-methyl-N-(2-methylprop-2-enyl)-2-phenylpropanamide
CID 114618287
2-benzamidoacetic acid;hydrofluoride
CID 174760685
2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid
CID 142700797
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
N,2-dihydroxy-2-methyl-4-phenylbutanamide
CID 18686340
2-(methylamino)-N-(2-methyl-2-phenylpropyl)acetamide
CID 60986486
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
2,2-dimethyl-N-phenacylbutanamide
CID 64991408
2-hydroxy-2,2-diphenyl-N-prop-2-ynylacetamide
CID 15023456
2-(carboxymethylamino)-2-phenyl-2-sulfoacetic acid
CID 174349470

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid (CID 88652446) is 2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid is CC(C(=O)NO)(C(=O)NCC(=O)O)c1ccccc1.
What is the InChIKey of 2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid?
The InChIKey is LJDMULLDDKIKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-12(11(18)14-19,8-5-3-2-4-6-8)10(17)13-7-9(15)16/h2-6,19H,7H2,1H3,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of 2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid?
2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid has a molecular weight of 266.25 g/mol, XLogP of -0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid is sourced from PubChem (CID 88652446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).