4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid

C14H18N2O4 — CID 61452845

IUPAC4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C(=O)Nc1ccc(C(=O)O)cc1)C1CC1
InChIInChI=1S/C14H18N2O4/c1-20-9-8-16(12-6-7-12)14(19)15-11-4-2-10(3-5-11)13(17)18/h2-5,12H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyZJBNQSATKAMBGR-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.03
Rot. Bonds6

About 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid

4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid (PubChem CID 61452845) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
PubChem CID61452845
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C(=O)Nc1ccc(C(=O)O)cc1)C1CC1
InChIInChI=1S/C14H18N2O4/c1-20-9-8-16(12-6-7-12)14(19)15-11-4-2-10(3-5-11)13(17)18/h2-5,12H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyZJBNQSATKAMBGR-UHFFFAOYSA-N
XLogP2.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61452697
1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 118765088
3-(4-chlorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-methoxyethyl)urea
CID 7222566
4-chloro-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452738
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea
CID 111430067
2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid
CID 61341696
1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
CID 43319501
N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61450272
1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea
CID 74248002
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209379
2-bromo-4-[cyclopropyl(2-methoxyethyl)carbamoyl]benzoic acid
CID 166289589

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid (CID 61452845) is 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid is COCCN(C(=O)Nc1ccc(C(=O)O)cc1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid?
The InChIKey is ZJBNQSATKAMBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-9-8-16(12-6-7-12)14(19)15-11-4-2-10(3-5-11)13(17)18/h2-5,12H,6-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid?
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61452845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).