2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid

C14H18N2O5 — CID 86739589

IUPAC2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
SMILESCNc1c(C(=O)OC(C)(C)C)cccc1C(=NO)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-14(2,3)21-13(19)9-7-5-6-8(10(9)15-4)11(16-20)12(17)18/h5-7,15,20H,1-4H3,(H,17,18)
InChIKeyFYOZLDICJQPBGC-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.95
Rot. Bonds4

About 2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid

2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid (PubChem CID 86739589) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
PubChem CID86739589
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
SMILESCNc1c(C(=O)OC(C)(C)C)cccc1C(=NO)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-14(2,3)21-13(19)9-7-5-6-8(10(9)15-4)11(16-20)12(17)18/h5-7,15,20H,1-4H3,(H,17,18)
InChIKeyFYOZLDICJQPBGC-UHFFFAOYSA-N
XLogP1.95
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid 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

CID 173425218
CID 173425218
CID 71111006
CID 71111006
3-O-tert-butyl 1-O-methyl 2-hydroxybenzene-1,3-dicarboxylate
CID 174913311
2-[2-carboxy-6-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]peroxybenzene-1,3-dicarboxylic acid
CID 54118881
2-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 69125479
tert-butyl 2-hydroxybenzoate;cobalt
CID 70348779
2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
CID 88721190
tert-butyl 5-acetylnaphthalene-1-carboxylate
CID 155204418
2-fluoro-6-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 70018250
tert-butyl 5-[(E)-hydroxyiminomethyl]naphthalene-1-carboxylate
CID 58497971
ditert-butyl 2-dimethoxyboranylbenzene-1,3-dicarboxylate
CID 101443525
tert-butyl phenanthrene-4-carboxylate
CID 86199772

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid?
The IUPAC name of 2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid (CID 86739589) is 2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid.
What is the SMILES notation for 2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid?
The canonical SMILES for 2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid is CNc1c(C(=O)OC(C)(C)C)cccc1C(=NO)C(=O)O.
What is the InChIKey of 2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid?
The InChIKey is FYOZLDICJQPBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-14(2,3)21-13(19)9-7-5-6-8(10(9)15-4)11(16-20)12(17)18/h5-7,15,20H,1-4H3,(H,17,18).
What are the key properties of 2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid?
2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-[2-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid is sourced from PubChem (CID 86739589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).