2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C14H17NO3 — CID 60791396

IUPAC2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(C(=O)C1CC1C(=O)O)c1ccccc1C
InChIInChI=1S/C14H17NO3/c1-3-15(12-7-5-4-6-9(12)2)13(16)10-8-11(10)14(17)18/h4-7,10-11H,3,8H2,1-2H3,(H,17,18)
InChIKeyCWIFBTQGGNBNJT-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.07
Rot. Bonds4

About 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60791396) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60791396
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(C(=O)C1CC1C(=O)O)c1ccccc1C
InChIInChI=1S/C14H17NO3/c1-3-15(12-7-5-4-6-9(12)2)13(16)10-8-11(10)14(17)18/h4-7,10-11H,3,8H2,1-2H3,(H,17,18)
InChIKeyCWIFBTQGGNBNJT-UHFFFAOYSA-N
XLogP2.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977682
2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390910
cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106324097
2-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978665
(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 95150702
2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221435
N-ethyl-N-(2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080533
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442470
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233
2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 61184616
1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 4595418

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60791396) is 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is CCN(C(=O)C1CC1C(=O)O)c1ccccc1C.
What is the InChIKey of 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is CWIFBTQGGNBNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-15(12-7-5-4-6-9(12)2)13(16)10-8-11(10)14(17)18/h4-7,10-11H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60791396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).