2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid

C14H20N2O4 — CID 107737147

IUPAC2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCN(C(=O)NC(C(=O)O)C(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)11(12(18)19)15-13(20)16(4)9-6-5-7-10(17)8-9/h5-8,11,17H,1-4H3,(H,15,20)(H,18,19)
InChIKeyXEBZZOJYXMMFAX-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.04
Rot. Bonds3

About 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid

2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 107737147) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID107737147
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCN(C(=O)NC(C(=O)O)C(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)11(12(18)19)15-13(20)16(4)9-6-5-7-10(17)8-9/h5-8,11,17H,1-4H3,(H,15,20)(H,18,19)
InChIKeyXEBZZOJYXMMFAX-UHFFFAOYSA-N
XLogP2.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 107737206
(2S)-2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 107737182
2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 62003824
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
2-amino-N-(3-hydroxyphenyl)-N,2-dimethylpropanamide
CID 107734712
1-(3-hydroxyphenyl)-1-methyl-3-propylurea
CID 107734166
(2R)-2-[[(2-cyanophenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103928188
(2S)-2-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61417413
3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea
CID 107734155
3-[tert-butyl-[(3-hydroxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 107737269
1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 107737300
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid (CID 107737147) is 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid is CN(C(=O)NC(C(=O)O)C(C)(C)C)c1cccc(O)c1.
What is the InChIKey of 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is XEBZZOJYXMMFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)11(12(18)19)15-13(20)16(4)9-6-5-7-10(17)8-9/h5-8,11,17H,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 107737147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).