2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid

C14H23NO3 — CID 2421900

IUPAC2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C14H23NO3/c16-12(15-8-4-5-9-15)10-14(11-13(17)18)6-2-1-3-7-14/h1-11H2,(H,17,18)
InChIKeyVGBJYXCCEGFPJQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.42
Rot. Bonds4

About 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid

2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid (PubChem CID 2421900) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid
PubChem CID2421900
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C14H23NO3/c16-12(15-8-4-5-9-15)10-14(11-13(17)18)6-2-1-3-7-14/h1-11H2,(H,17,18)
InChIKeyVGBJYXCCEGFPJQ-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-[Cyclohexyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 4075760
(1-(3-Oxo-2-aza-spiro(4.5)dec-2-ylmethyl)-cyclohexyl)-acetic acid
CID 29980616
2-[1-[2-(Diethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655384
2-[1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 60890411
2-[1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 61603555
2-[1-[2-[Methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65533448
2-[1-[2-[2,2-Difluoroethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 116314339
3-[3,3-Bis(trifluoromethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120281970
2-[(5r,8r)-2-(2,2,2-Trifluoroacetyl)-2-azaspiro[4.5]decan-8-yl]acetic acid
CID 165981678
2-[1-[2-(Azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655381
2-[1-(2-Oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid
CID 4644100
2-[1-(2-Oxo-2-piperidin-1-ylethyl)cyclopentyl]acetic acid
CID 4644102

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid (CID 2421900) is 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)N2CCCC2)CCCCC1.
What is the InChIKey of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid?
The InChIKey is VGBJYXCCEGFPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-12(15-8-4-5-9-15)10-14(11-13(17)18)6-2-1-3-7-14/h1-11H2,(H,17,18).
What are the key properties of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid?
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid has a molecular weight of 253.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 2421900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).