ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid

C12H22O3 — CID 143530710

IUPACethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
SMILESCC.CC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C10H16O3.C2H6/c1-8(11)6-10(7-9(12)13)4-2-3-5-10;1-2/h2-7H2,1H3,(H,12,13);1-2H3
InChIKeyIFPAJKZUZCVDMS-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.03
Rot. Bonds4

About ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid

ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid (PubChem CID 143530710) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Nameethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
PubChem CID143530710
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
SMILESCC.CC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C10H16O3.C2H6/c1-8(11)6-10(7-9(12)13)4-2-3-5-10;1-2/h2-7H2,1H3,(H,12,13);1-2H3
InChIKeyIFPAJKZUZCVDMS-UHFFFAOYSA-N
XLogP3.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007
2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 113485316
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338
2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
CID 43235012
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861
2-[1-(methoxymethyl)cyclohexyl]acetic acid
CID 115017080
2-[1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61464488
2-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61071713
2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 107846666
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
2-[1-[2-(3-ethylpentan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 63842782
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419

Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid?
The IUPAC name of ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid (CID 143530710) is ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid.
What is the SMILES notation for ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid?
The canonical SMILES for ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid is CC.CC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid?
The InChIKey is IFPAJKZUZCVDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3.C2H6/c1-8(11)6-10(7-9(12)13)4-2-3-5-10;1-2/h2-7H2,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid?
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid has a molecular weight of 214.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid is sourced from PubChem (CID 143530710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).