4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid

C15H20N2O4 — CID 63996353

IUPAC4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid
SMILESCCC(CC1CC1)NC(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C15H20N2O4/c1-2-11(7-9-3-4-9)16-15(21)17-12-6-5-10(14(19)20)8-13(12)18/h5-6,8-9,11,18H,2-4,7H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyBRVLLDRZKGYDQE-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.79
Rot. Bonds6

About 4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid

4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid (PubChem CID 63996353) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid
PubChem CID63996353
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid
SMILESCCC(CC1CC1)NC(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C15H20N2O4/c1-2-11(7-9-3-4-9)16-15(21)17-12-6-5-10(14(19)20)8-13(12)18/h5-6,8-9,11,18H,2-4,7H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyBRVLLDRZKGYDQE-UHFFFAOYSA-N
XLogP2.79
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(1-cyclopropylbutan-2-ylcarbamoylamino)benzoic acid
CID 63993787
2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid
CID 63994767
3-hydroxy-4-(5-methylhexan-2-ylcarbamoylamino)benzoic acid
CID 63924927
4-chloro-3-(pentan-3-ylcarbamoylamino)benzoic acid
CID 61189022
4-bromo-3-(pentan-3-ylcarbamoylamino)benzoic acid
CID 107813902
3-hydroxy-4-(propylcarbamoylamino)benzoic acid
CID 60829260
3-(1-cyclopropylpropan-2-ylcarbamoylamino)-4-fluorobenzoic acid
CID 63996542
N-(1-cyclopropylbutan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63994419
5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid
CID 104607621
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybenzoic acid
CID 61202694
3-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223435
4-(2-chloropropanoylamino)-3-hydroxybenzoic acid
CID 108744195

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid?
The IUPAC name of 4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid (CID 63996353) is 4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid.
What is the SMILES notation for 4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid?
The canonical SMILES for 4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid is CCC(CC1CC1)NC(=O)Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid?
The InChIKey is BRVLLDRZKGYDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-11(7-9-3-4-9)16-15(21)17-12-6-5-10(14(19)20)8-13(12)18/h5-6,8-9,11,18H,2-4,7H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid?
4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid is sourced from PubChem (CID 63996353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).