2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid

C13H16N2O4 — CID 113305078

IUPAC2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)NCC2CC2)c(C(=O)O)c1
InChIInChI=1S/C13H16N2O4/c1-19-9-4-5-11(10(6-9)12(16)17)15-13(18)14-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyOMFCVRJDCYYMKY-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.92
Rot. Bonds5

About 2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid

2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid (PubChem CID 113305078) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid
PubChem CID113305078
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)NCC2CC2)c(C(=O)O)c1
InChIInChI=1S/C13H16N2O4/c1-19-9-4-5-11(10(6-9)12(16)17)15-13(18)14-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyOMFCVRJDCYYMKY-UHFFFAOYSA-N
XLogP1.92
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182658
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
2-(butylcarbamoylamino)-5-methoxybenzoic acid
CID 115411198
5-methoxy-2-(3-methylbut-2-enylcarbamoylamino)benzoic acid
CID 106191120
5-methoxy-2-(2-methylsulfonylethylcarbamoylamino)benzoic acid
CID 115412131
5-methoxy-2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]benzoic acid
CID 115412279
5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414704
5-chloro-4-(cyclopropylmethylcarbamoylamino)-2-methoxybenzoic acid
CID 61182662
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-methoxybenzoic acid
CID 115965839
5-hydroxy-2-(thiolan-3-ylmethylcarbamoylamino)benzoic acid
CID 107297476
1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125170007
1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108698

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid?
The IUPAC name of 2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid (CID 113305078) is 2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid?
The canonical SMILES for 2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid is COc1ccc(NC(=O)NCC2CC2)c(C(=O)O)c1.
What is the InChIKey of 2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid?
The InChIKey is OMFCVRJDCYYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-9-4-5-11(10(6-9)12(16)17)15-13(18)14-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid?
2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid is sourced from PubChem (CID 113305078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).