4-(2-hydroxyanilino)-4-oxobutanoate

C10H10NO4- — CID 3615801

IUPAC4-(2-hydroxyanilino)-4-oxobutanoate
SMILESO=C([O-])CCC(=O)Nc1ccccc1O
InChIInChI=1S/C10H11NO4/c12-8-4-2-1-3-7(8)11-9(13)5-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)/p-1
InChIKeyKHPAYIYVNRVFCK-UHFFFAOYSA-M
MW208.19 g/mol
LogP-0.14
Rot. Bonds4

About 4-(2-hydroxyanilino)-4-oxobutanoate

4-(2-hydroxyanilino)-4-oxobutanoate (PubChem CID 3615801) has the molecular formula C10H10NO4- and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-(2-hydroxyanilino)-4-oxobutanoate.

Molecular Properties

Compound Name4-(2-hydroxyanilino)-4-oxobutanoate
PubChem CID3615801
Molecular FormulaC10H10NO4-
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name4-(2-hydroxyanilino)-4-oxobutanoate
SMILESO=C([O-])CCC(=O)Nc1ccccc1O
InChIInChI=1S/C10H11NO4/c12-8-4-2-1-3-7(8)11-9(13)5-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)/p-1
InChIKeyKHPAYIYVNRVFCK-UHFFFAOYSA-M
XLogP-0.14
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromoanilino)-4-oxobutanoate
CID 6935665
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
N-(2-hydroxyphenyl)-2-iodoacetamide
CID 66791865
3-(2-hydroxyanilino)-3-oxopropanoic acid
CID 69016240
3-acetamido-N-(2-hydroxyphenyl)propanamide
CID 47110153
4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate
CID 2192276
5-(2-bromoanilino)-5-oxopentanoate
CID 6939173
N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide
CID 39284489
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 37012040
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
3-amino-N-(2,3-dihydroxyphenyl)propanamide
CID 91188626

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyanilino)-4-oxobutanoate?
The IUPAC name of 4-(2-hydroxyanilino)-4-oxobutanoate (CID 3615801) is 4-(2-hydroxyanilino)-4-oxobutanoate.
What is the SMILES notation for 4-(2-hydroxyanilino)-4-oxobutanoate?
The canonical SMILES for 4-(2-hydroxyanilino)-4-oxobutanoate is O=C([O-])CCC(=O)Nc1ccccc1O.
What is the InChIKey of 4-(2-hydroxyanilino)-4-oxobutanoate?
The InChIKey is KHPAYIYVNRVFCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO4/c12-8-4-2-1-3-7(8)11-9(13)5-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)/p-1.
What are the key properties of 4-(2-hydroxyanilino)-4-oxobutanoate?
4-(2-hydroxyanilino)-4-oxobutanoate has a molecular weight of 208.19 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyanilino)-4-oxobutanoate is sourced from PubChem (CID 3615801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).