(2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid

C11H14N2O4 — CID 851678

IUPAC(2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid
SMILESC[C@@H](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)/t7-/m0/s1
InChIKeyQNDGOTHLKZYEGN-ZETCQYMHSA-N
MW238.24 g/mol
LogP1.00
Rot. Bonds4

About (2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid

(2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid (PubChem CID 851678) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid
PubChem CID851678
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid
SMILESC[C@@H](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)/t7-/m0/s1
InChIKeyQNDGOTHLKZYEGN-ZETCQYMHSA-N
XLogP1.00
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoate
CID 78428173
hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea
CID 174379543
3-(2-fluoro-N-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318676
3-[N-(2,2-dimethylpropanoyl)-2-methylanilino]-2-methylpropanoic acid
CID 82321121
3-[2-fluoro-N-(3-methylbutyl)anilino]-2-methylpropanoic acid
CID 82319181
(2R)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253746
(2S)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253745
3-[2-fluoro-N-[(4-fluorophenyl)methyl]anilino]-2-methylpropanoic acid
CID 82317425
3-[N-(1-carboxyethyl)-2-chloroanilino]-2-methylpropanoic acid
CID 82317218
2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid
CID 82318728
2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid
CID 138423714
3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid
CID 82321106

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid?
The IUPAC name of (2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid (CID 851678) is (2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid is C[C@@H](CN(C(N)=O)c1ccccc1O)C(=O)O.
What is the InChIKey of (2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid?
The InChIKey is QNDGOTHLKZYEGN-ZETCQYMHSA-N. 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)/t7-/m0/s1.
What are the key properties of (2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid?
(2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid has a molecular weight of 238.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid is sourced from PubChem (CID 851678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).