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

C15H20N2O4 — CID 115412060

IUPAC2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
SMILESCCCN(C(=O)Nc1cc(OC)ccc1C(=O)O)C1CC1
InChIInChI=1S/C15H20N2O4/c1-3-8-17(10-4-5-10)15(20)16-13-9-11(21-2)6-7-12(13)14(18)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFFLFOOOXHVTDMH-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.80
Rot. Bonds6

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

2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid (PubChem CID 115412060) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
PubChem CID115412060
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
SMILESCCCN(C(=O)Nc1cc(OC)ccc1C(=O)O)C1CC1
InChIInChI=1S/C15H20N2O4/c1-3-8-17(10-4-5-10)15(20)16-13-9-11(21-2)6-7-12(13)14(18)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFFLFOOOXHVTDMH-UHFFFAOYSA-N
XLogP2.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209379
4-chloro-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452738
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 61194740
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61194866
2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid
CID 115412057
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190019
2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid
CID 115412313
2-[3-(cyclopropylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411585
2-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-4-methoxybenzoic acid
CID 115412194

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid?
The IUPAC name of 2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid (CID 115412060) is 2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid is CCCN(C(=O)Nc1cc(OC)ccc1C(=O)O)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid?
The InChIKey is FFLFOOOXHVTDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-8-17(10-4-5-10)15(20)16-13-9-11(21-2)6-7-12(13)14(18)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid?
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid is sourced from PubChem (CID 115412060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).