3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid

C13H18N2O5 — CID 107737452

IUPAC3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCN(C(=O)NCC(C)(O)C(=O)O)c1cccc(O)c1
InChIInChI=1S/C13H18N2O5/c1-3-15(9-5-4-6-10(16)7-9)12(19)14-8-13(2,20)11(17)18/h4-7,16,20H,3,8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyOBENBQUNGRRYPT-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.76
Rot. Bonds5

About 3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid

3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 107737452) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID107737452
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCN(C(=O)NCC(C)(O)C(=O)O)c1cccc(O)c1
InChIInChI=1S/C13H18N2O5/c1-3-15(9-5-4-6-10(16)7-9)12(19)14-8-13(2,20)11(17)18/h4-7,16,20H,3,8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyOBENBQUNGRRYPT-UHFFFAOYSA-N
XLogP0.76
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid
CID 107737356
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 107737365
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690
2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide
CID 107734887
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107735686
4-bromo-N-ethyl-2,6-difluoro-N-(3-hydroxyphenyl)benzamide
CID 107735611
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 107737452) is 3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid is CCN(C(=O)NCC(C)(O)C(=O)O)c1cccc(O)c1.
What is the InChIKey of 3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is OBENBQUNGRRYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-3-15(9-5-4-6-10(16)7-9)12(19)14-8-13(2,20)11(17)18/h4-7,16,20H,3,8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 282.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 107737452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).