3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid

C16H22N2O3 — CID 62949238

IUPAC3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)N(CC(C)C)C2CC2)cccc1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10(2)9-18(12-7-8-12)16(21)17-14-6-4-5-13(11(14)3)15(19)20/h4-6,10,12H,7-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOLNLDSICIUUYGP-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.35
Rot. Bonds5

About 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid

3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid (PubChem CID 62949238) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
PubChem CID62949238
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)N(CC(C)C)C2CC2)cccc1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10(2)9-18(12-7-8-12)16(21)17-14-6-4-5-13(11(14)3)15(19)20/h4-6,10,12H,7-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOLNLDSICIUUYGP-UHFFFAOYSA-N
XLogP3.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 63113616
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 102865703
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743458
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea
CID 47031749
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid
CID 64520010
2-methyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 60842887
1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea
CID 71858397
3-(2-carboxypropanoylamino)-2-methylbenzoic acid
CID 114898046
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
2-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
CID 81036622
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 82938747
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
CID 6458658

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid?
The IUPAC name of 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid (CID 62949238) is 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid is Cc1c(NC(=O)N(CC(C)C)C2CC2)cccc1C(=O)O.
What is the InChIKey of 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid?
The InChIKey is OLNLDSICIUUYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)9-18(12-7-8-12)16(21)17-14-6-4-5-13(11(14)3)15(19)20/h4-6,10,12H,7-9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid?
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 62949238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).