2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid

C14H19NO4 — CID 50877562

IUPAC2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid
SMILESCC(C)C(CO)N(C)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(2)12(8-16)15(3)13(17)10-6-4-5-7-11(10)14(18)19/h4-7,9,12,16H,8H2,1-3H3,(H,18,19)
InChIKeyKCPGUBUSVHCLMP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.47
Rot. Bonds5

About 2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid

2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid (PubChem CID 50877562) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid
PubChem CID50877562
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid
SMILESCC(C)C(CO)N(C)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(2)12(8-16)15(3)13(17)10-6-4-5-7-11(10)14(18)19/h4-7,9,12,16H,8H2,1-3H3,(H,18,19)
InChIKeyKCPGUBUSVHCLMP-UHFFFAOYSA-N
XLogP1.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
CID 50877497
2-[methyl(3-methylbutyl)carbamoyl]benzoic acid
CID 60948718
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
CID 131998525
methanediol;phthalic acid
CID 70525231
2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
CID 114243031
3,4-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylbenzamide
CID 67773903
2-[(3-hydroxy-2-methylpropyl)carbamoyl]benzoic acid
CID 65034048
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287
CID 174469049
CID 174469049
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid (CID 50877562) is 2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid is CC(C)C(CO)N(C)C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid?
The InChIKey is KCPGUBUSVHCLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)12(8-16)15(3)13(17)10-6-4-5-7-11(10)14(18)19/h4-7,9,12,16H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid?
2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid is sourced from PubChem (CID 50877562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).