4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid

C14H18N2O4 — CID 61194740

IUPAC4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid
SMILESCCCN(C(=O)Nc1ccc(C(=O)O)c(O)c1)C1CC1
InChIInChI=1S/C14H18N2O4/c1-2-7-16(10-4-5-10)14(20)15-9-3-6-11(13(18)19)12(17)8-9/h3,6,8,10,17H,2,4-5,7H2,1H3,(H,15,20)(H,18,19)
InChIKeyPOPARHMYRDASDV-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.50
Rot. Bonds5

About 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid

4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid (PubChem CID 61194740) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid
PubChem CID61194740
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid
SMILESCCCN(C(=O)Nc1ccc(C(=O)O)c(O)c1)C1CC1
InChIInChI=1S/C14H18N2O4/c1-2-7-16(10-4-5-10)14(20)15-9-3-6-11(13(18)19)12(17)8-9/h3,6,8,10,17H,2,4-5,7H2,1H3,(H,15,20)(H,18,19)
InChIKeyPOPARHMYRDASDV-UHFFFAOYSA-N
XLogP2.50
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209379
5-[[butyl(cyclopropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61442800
5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 102865413
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
CID 115412060
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 62854589
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 61207094
3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid
CID 115340620
2-hydroxy-4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426173
2-hydroxy-4-[[3-methoxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62997586
2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865423
4-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107796191
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid (CID 61194740) is 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid is CCCN(C(=O)Nc1ccc(C(=O)O)c(O)c1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The InChIKey is POPARHMYRDASDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-7-16(10-4-5-10)14(20)15-9-3-6-11(13(18)19)12(17)8-9/h3,6,8,10,17H,2,4-5,7H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid?
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid has a molecular weight of 278.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 61194740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).