2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid

C14H18N2O5 — CID 88721190

IUPAC2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
SMILESCC(C)(C)OC(=O)CNc1cccc(C(=NO)C(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-14(2,3)21-11(17)8-15-10-6-4-5-9(7-10)12(16-20)13(18)19/h4-7,15,20H,8H2,1-3H3,(H,18,19)
InChIKeyZAHOGHABKPSKAM-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.70
Rot. Bonds5

About 2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid

2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid (PubChem CID 88721190) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
PubChem CID88721190
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
SMILESCC(C)(C)OC(=O)CNc1cccc(C(=NO)C(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-14(2,3)21-11(17)8-15-10-6-4-5-9(7-10)12(16-20)13(18)19/h4-7,15,20H,8H2,1-3H3,(H,18,19)
InChIKeyZAHOGHABKPSKAM-UHFFFAOYSA-N
XLogP1.70
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.70
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'}

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Related Compounds

tert-butyl 2-(3-hydroxyanilino)acetate
CID 68777039
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521
tert-butyl 3-(ethylamino)benzoate
CID 18375541
[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 139764509
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
CID 69115403
(2Z)-2-[[6-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]-3-pyridinyl]methylidene]butanoic acid
CID 68956534
tert-butyl 2-[(3-aminobenzoyl)amino]acetate
CID 20745560
3-[(2-ethoxy-2-oxoethyl)amino]benzoate
CID 4063762
tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate
CID 81463312
(2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 87919626
1-O-(2-anilinoacetyl) 4-O-tert-butyl (2S)-2-(methylamino)butanedioate
CID 57215821

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid?
The IUPAC name of 2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid (CID 88721190) is 2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid is CC(C)(C)OC(=O)CNc1cccc(C(=NO)C(=O)O)c1.
What is the InChIKey of 2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid?
The InChIKey is ZAHOGHABKPSKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-14(2,3)21-11(17)8-15-10-6-4-5-9(7-10)12(16-20)13(18)19/h4-7,15,20H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid?
2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid is sourced from PubChem (CID 88721190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).