2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

C15H27NO3 — CID 43804933

IUPAC2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCCN(CC)C(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H27NO3/c1-3-10-16(4-2)13(17)11-15(12-14(18)19)8-6-5-7-9-15/h3-12H2,1-2H3,(H,18,19)
InChIKeyZFENTAASCDALQR-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds7

About 2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 43804933) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID43804933
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCCN(CC)C(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H27NO3/c1-3-10-16(4-2)13(17)11-15(12-14(18)19)8-6-5-7-9-15/h3-12H2,1-2H3,(H,18,19)
InChIKeyZFENTAASCDALQR-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,2-Trimethyl-3-(piperidine-1-carbonyl)-cyclopentanecarboxylic acid
CID 3151271
2-[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid;hydrochloride
CID 16196812
3-(Diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 652114
2-[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 1547710
2-[1-[2-(4-Methyl-1,4-diazepan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid;hydrochloride
CID 16241568
2-[1-(2-Oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid
CID 2421900
2-[1-[2-[Cyclohexyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 4075760
3-[Methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55235594
3-[(3R)-1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 97338893
2-[1-[2-(Diethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655384
2-[1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
2-[1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 60890411

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 43804933) is 2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is CCCN(CC)C(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is ZFENTAASCDALQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-10-16(4-2)13(17)11-15(12-14(18)19)8-6-5-7-9-15/h3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43804933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).