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

C15H20N2O4 — CID 107209379

IUPAC4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
SMILESCCCN(C(=O)Nc1ccc(C(=O)O)c(OC)c1)C1CC1
InChIInChI=1S/C15H20N2O4/c1-3-8-17(11-5-6-11)15(20)16-10-4-7-12(14(18)19)13(9-10)21-2/h4,7,9,11H,3,5-6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyVDPCBCFPLYENGS-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.80
Rot. Bonds6

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

4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid (PubChem CID 107209379) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
PubChem CID107209379
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
SMILESCCCN(C(=O)Nc1ccc(C(=O)O)c(OC)c1)C1CC1
InChIInChI=1S/C15H20N2O4/c1-3-8-17(11-5-6-11)15(20)16-10-4-7-12(14(18)19)13(9-10)21-2/h4,7,9,11H,3,5-6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyVDPCBCFPLYENGS-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 ≤ 500292.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 61194740
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
CID 115412060
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209438
3-[(3-chloro-4-methoxyphenyl)carbamoyl-cyclopropylamino]propanoic acid
CID 61182925
3-[cyclopropyl-[(3-fluoro-4-methoxyphenyl)carbamoyl]amino]propanoic acid
CID 61199769
5-[[butyl(cyclopropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61442800
2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid
CID 107209387
2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 107209518
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid
CID 107208684
4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209575

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid (CID 107209379) is 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid is CCCN(C(=O)Nc1ccc(C(=O)O)c(OC)c1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid?
The InChIKey is VDPCBCFPLYENGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-8-17(11-5-6-11)15(20)16-10-4-7-12(14(18)19)13(9-10)21-2/h4,7,9,11H,3,5-6,8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid?
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid has a molecular weight of 292.34 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 4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107209379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).