2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid

C12H21NO3 — CID 115150957

IUPAC2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid
SMILESCCN(C)C(=O)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-3-13(2)12(16)10-6-4-9(5-7-10)8-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyRRKLEKGHMULWGY-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.75
Rot. Bonds4

About 2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid

2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid (PubChem CID 115150957) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid
PubChem CID115150957
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid
SMILESCCN(C)C(=O)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-3-13(2)12(16)10-6-4-9(5-7-10)8-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyRRKLEKGHMULWGY-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid
CID 115150971
N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide
CID 121366962
2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid
CID 83618301
2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid
CID 83835069
2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid
CID 103112547
2-[4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexyl]acetic acid
CID 115150963
2-(4-aminocyclohexyl)-N-ethyl-N-methylacetamide
CID 62783165
4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62806413
3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide
CID 62782994
N-ethyl-N-methyl-1-phenylpiperidine-4-carboxamide
CID 67767896
(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075
4-[cyclopropylmethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63955071

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid (CID 115150957) is 2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid is CCN(C)C(=O)C1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid?
The InChIKey is RRKLEKGHMULWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-13(2)12(16)10-6-4-9(5-7-10)8-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid?
2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid is sourced from PubChem (CID 115150957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).