2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid

C13H18N2O4 — CID 61183092

IUPAC2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid
SMILESCCCC(C)NC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C13H18N2O4/c1-3-4-8(2)14-13(19)15-9-5-6-10(12(17)18)11(16)7-9/h5-8,16H,3-4H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyZSPYQHLPWGDEDO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.40
Rot. Bonds5

About 2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid

2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid (PubChem CID 61183092) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid
PubChem CID61183092
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid
SMILESCCCC(C)NC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C13H18N2O4/c1-3-4-8(2)14-13(19)15-9-5-6-10(12(17)18)11(16)7-9/h5-8,16H,3-4H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyZSPYQHLPWGDEDO-UHFFFAOYSA-N
XLogP2.40
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
4-fluoro-2-(pentan-2-ylcarbamoylamino)benzoic acid
CID 61183430
2-bromo-5-(heptan-2-ylcarbamoylamino)benzoic acid
CID 115296797
4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
CID 107144725
1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea
CID 118767148
2-fluoro-4-(hexan-3-ylcarbamoylamino)benzoic acid
CID 107796239
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660
4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61203198
2-hydroxy-4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426173
2-chloro-4-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 61399288
methyl N-[3-[[(2S)-pentan-2-yl]carbamoylamino]phenyl]carbamate
CID 94152562
methyl 4-(pentan-2-ylcarbamoylamino)benzoate
CID 47039918

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid (CID 61183092) is 2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid is CCCC(C)NC(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid?
The InChIKey is ZSPYQHLPWGDEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-4-8(2)14-13(19)15-9-5-6-10(12(17)18)11(16)7-9/h5-8,16H,3-4H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid?
2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid has a molecular weight of 266.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61183092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).