2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid

C13H17NO2 — CID 117027632

IUPAC2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid
SMILESCCc1cccc(C)c1NC1CC1C(=O)O
InChIInChI=1S/C13H17NO2/c1-3-9-6-4-5-8(2)12(9)14-11-7-10(11)13(15)16/h4-6,10-11,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyFDRTUEHCZQKXLC-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.44
Rot. Bonds4

About 2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid

2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid (PubChem CID 117027632) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid
PubChem CID117027632
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid
SMILESCCc1cccc(C)c1NC1CC1C(=O)O
InChIInChI=1S/C13H17NO2/c1-3-9-6-4-5-8(2)12(9)14-11-7-10(11)13(15)16/h4-6,10-11,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyFDRTUEHCZQKXLC-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(2-ethyl-6-methylanilino)-1,1-dioxothiolan-3-ol
CID 1413789
N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55193292
cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106323996
N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
2-[(2-carboxycyclopropyl)amino]-6-methylbenzoic acid
CID 3458834
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
(1R,2S,3R,4R)-3-[(2-ethyl-6-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98298468
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 63448687
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
CID 103759544
1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142279
4-(2-ethyl-6-methylanilino)piperidine-1-carboxamide
CID 54862221
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid (CID 117027632) is 2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid is CCc1cccc(C)c1NC1CC1C(=O)O.
What is the InChIKey of 2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid?
The InChIKey is FDRTUEHCZQKXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-9-6-4-5-8(2)12(9)14-11-7-10(11)13(15)16/h4-6,10-11,14H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid?
2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117027632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).