2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid

C15H20N2O3 — CID 61196584

IUPAC2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid
SMILESCCCN(C(=O)N(C)c1ccccc1C(=O)O)C1CC1
InChIInChI=1S/C15H20N2O3/c1-3-10-17(11-8-9-11)15(20)16(2)13-7-5-4-6-12(13)14(18)19/h4-7,11H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyKEZIPWBMWSEFLZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.82
Rot. Bonds5

About 2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid

2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid (PubChem CID 61196584) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid
PubChem CID61196584
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid
SMILESCCCN(C(=O)N(C)c1ccccc1C(=O)O)C1CC1
InChIInChI=1S/C15H20N2O3/c1-3-10-17(11-8-9-11)15(20)16(2)13-7-5-4-6-12(13)14(18)19/h4-7,11H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyKEZIPWBMWSEFLZ-UHFFFAOYSA-N
XLogP2.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid
CID 61185339
2-[methyl-[methyl(pentan-3-yl)carbamoyl]amino]benzoic acid
CID 61201956
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
N-cyclopropyl-N-propyl-2-sulfanylbenzamide
CID 107022431
2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 62230361
2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid
CID 63691296
2-[methyl-[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
CID 113498695
4-[[[cyclopropyl(propyl)carbamoyl]-methylamino]methyl]benzoic acid
CID 61195843
2-[2,2-dimethylbutanoyl(methyl)amino]benzoic acid
CID 55102859
2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
CID 80743167
2-[methyl(octyl)amino]benzoic acid
CID 21437831
2-[methyl-(2-propoxyacetyl)amino]benzoic acid
CID 113287953

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid?
The IUPAC name of 2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid (CID 61196584) is 2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid.
What is the SMILES notation for 2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid?
The canonical SMILES for 2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid is CCCN(C(=O)N(C)c1ccccc1C(=O)O)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid?
The InChIKey is KEZIPWBMWSEFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-10-17(11-8-9-11)15(20)16(2)13-7-5-4-6-12(13)14(18)19/h4-7,11H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid?
2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid is sourced from PubChem (CID 61196584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).