(2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid

C11H18O3 — CID 167015607

IUPAC(2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid
SMILESO=C(O)[C@H](CC1CCCC1)OC1CC1
InChIInChI=1S/C11H18O3/c12-11(13)10(14-9-5-6-9)7-8-3-1-2-4-8/h8-10H,1-7H2,(H,12,13)/t10-/m0/s1
InChIKeyBFEAMVVURLZLCT-JTQLQIEISA-N
MW198.26 g/mol
LogP2.20
Rot. Bonds5

About (2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid

(2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid (PubChem CID 167015607) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid
PubChem CID167015607
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid
SMILESO=C(O)[C@H](CC1CCCC1)OC1CC1
InChIInChI=1S/C11H18O3/c12-11(13)10(14-9-5-6-9)7-8-3-1-2-4-8/h8-10H,1-7H2,(H,12,13)/t10-/m0/s1
InChIKeyBFEAMVVURLZLCT-JTQLQIEISA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylcyclohexyl)oxybutanoic acid
CID 43808830
(2R,3R)-2,3-dicyclohexyloxybutanedioic acid
CID 90149743
(2S)-2-bromo-3-cyclohexylpropanoic acid
CID 58736783
3-cyclohexyl-2-iodopropanoic acid
CID 150221699
(2R)-2-chloro-3-cyclohexylpropanoic acid
CID 86657609
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
2-(cyclopentylmethoxy)butanoic acid
CID 66324485
3-amino-2-(cyclopentylmethoxy)propanoic acid
CID 66322940
3-amino-2-(cyclohexylmethoxy)propanoic acid
CID 64695056
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
(2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid
CID 57007791
3-cyclobutyl-2-cyclopropylpropanoic acid
CID 115013430

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid?
The IUPAC name of (2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid (CID 167015607) is (2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid.
What is the SMILES notation for (2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid?
The canonical SMILES for (2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid is O=C(O)[C@H](CC1CCCC1)OC1CC1.
What is the InChIKey of (2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid?
The InChIKey is BFEAMVVURLZLCT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18O3/c12-11(13)10(14-9-5-6-9)7-8-3-1-2-4-8/h8-10H,1-7H2,(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid?
(2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid is sourced from PubChem (CID 167015607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).