3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate

C11H13N2O4- — CID 78428173

IUPAC3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate
SMILESCC(CN(C(N)=O)c1ccccc1O)C(=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-7(10(15)16)6-13(11(12)17)8-4-2-3-5-9(8)14/h2-5,7,14H,6H2,1H3,(H2,12,17)(H,15,16)/p-1
InChIKeyQNDGOTHLKZYEGN-UHFFFAOYSA-M
MW237.24 g/mol
LogP-0.34
Rot. Bonds4

About 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate

3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate (PubChem CID 78428173) has the molecular formula C11H13N2O4- and a molecular weight of 237.24 g/mol. Its IUPAC name is 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate.

Molecular Properties

Compound Name3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate
PubChem CID78428173
Molecular FormulaC11H13N2O4-
Molecular Weight237.24 g/mol
Exact Mass237.09
IUPAC Name3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate
SMILESCC(CN(C(N)=O)c1ccccc1O)C(=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-7(10(15)16)6-13(11(12)17)8-4-2-3-5-9(8)14/h2-5,7,14H,6H2,1H3,(H2,12,17)(H,15,16)/p-1
InChIKeyQNDGOTHLKZYEGN-UHFFFAOYSA-M
XLogP-0.34
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid
CID 851678
hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea
CID 174379543
bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethyl-1-(3-fluoro-2-hydroxyphenyl)urea
CID 174491713
2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid
CID 138423714
2-methylbutanedioate;bis(triphenylsulfanium)
CID 87067143
N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide
CID 12581419
1-(2-hydroxyethyl)-1-(2-methylphenyl)urea
CID 14685232
N-(2-hydroxyphenyl)acetohydrazide
CID 57105053
N-(2-methylbutyl)-N-phenylcarbamate
CID 21460549
1-[2-(2-hydroxypropyl)phenyl]-1-methylurea
CID 117297750
3-[N-(2,2-dimethylpropanoyl)-2-methylanilino]-2-methylpropanoic acid
CID 82321121
1,1-bis(2-methylphenyl)urea
CID 3049256

Frequently Asked Questions

What is the IUPAC name of 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate?
The IUPAC name of 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate (CID 78428173) is 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate.
What is the SMILES notation for 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate?
The canonical SMILES for 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate is CC(CN(C(N)=O)c1ccccc1O)C(=O)[O-].
What is the InChIKey of 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate?
The InChIKey is QNDGOTHLKZYEGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N2O4/c1-7(10(15)16)6-13(11(12)17)8-4-2-3-5-9(8)14/h2-5,7,14H,6H2,1H3,(H2,12,17)(H,15,16)/p-1.
What are the key properties of 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate?
3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate has a molecular weight of 237.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate is sourced from PubChem (CID 78428173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).