2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid

C15H20N2O3 — CID 107400204

IUPAC2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
SMILESCCN(CC1CCC1)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-2-17(10-11-6-5-7-11)15(20)16-13-9-4-3-8-12(13)14(18)19/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyOKJVNGIDSZYBSG-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.04
Rot. Bonds5

About 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid

2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid (PubChem CID 107400204) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
PubChem CID107400204
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
SMILESCCN(CC1CCC1)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-2-17(10-11-6-5-7-11)15(20)16-13-9-4-3-8-12(13)14(18)19/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyOKJVNGIDSZYBSG-UHFFFAOYSA-N
XLogP3.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63956066
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63955052
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 107400010
2-chloro-5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400209
5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 107400253
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid
CID 64520010
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 107400146
3-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 107400276
N-(cyclobutylmethyl)-N-ethyl-2-(propan-2-ylamino)benzamide
CID 107400011
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid (CID 107400204) is 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid is CCN(CC1CCC1)C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid?
The InChIKey is OKJVNGIDSZYBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-17(10-11-6-5-7-11)15(20)16-13-9-4-3-8-12(13)14(18)19/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid?
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 107400204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).