2-(cyclopentylmethoxy)butanoic acid

C10H18O3 — CID 66324485

IUPAC2-(cyclopentylmethoxy)butanoic acid
SMILESCCC(OCC1CCCC1)C(=O)O
InChIInChI=1S/C10H18O3/c1-2-9(10(11)12)13-7-8-5-3-4-6-8/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyBNZWVLXFKHNRHA-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.06
Rot. Bonds5

About 2-(cyclopentylmethoxy)butanoic acid

2-(cyclopentylmethoxy)butanoic acid (PubChem CID 66324485) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)butanoic acid.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)butanoic acid
PubChem CID66324485
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(cyclopentylmethoxy)butanoic acid
SMILESCCC(OCC1CCCC1)C(=O)O
InChIInChI=1S/C10H18O3/c1-2-9(10(11)12)13-7-8-5-3-4-6-8/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyBNZWVLXFKHNRHA-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(cyclopentylmethoxy)propanoic acid
CID 66322940
3-amino-2-(cyclohexylmethoxy)propanoic acid
CID 64695056
2-(cyclopentylmethoxy)propanoic acid
CID 66322360
3-cyclobutyl-2-(cyclopentylmethoxy)-N-ethylpropanamide
CID 70911148
(2R)-2-(cyclohexylmethoxy)pentan-3-one
CID 163532136
(2S)-2-(2-chloroethoxy)butanoic acid
CID 97304350
methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate
CID 114282489
cyclopentylmethyl 2-aminobutanoate
CID 66322645
N-tert-butyl-3-cyclopentyl-2-(cyclopentylmethoxy)propanamide
CID 20790258
2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one
CID 59143519
1-(cyclohexylmethoxy)propan-1-amine
CID 123186405
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)butanoic acid?
The IUPAC name of 2-(cyclopentylmethoxy)butanoic acid (CID 66324485) is 2-(cyclopentylmethoxy)butanoic acid.
What is the SMILES notation for 2-(cyclopentylmethoxy)butanoic acid?
The canonical SMILES for 2-(cyclopentylmethoxy)butanoic acid is CCC(OCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(cyclopentylmethoxy)butanoic acid?
The InChIKey is BNZWVLXFKHNRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-9(10(11)12)13-7-8-5-3-4-6-8/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-(cyclopentylmethoxy)butanoic acid?
2-(cyclopentylmethoxy)butanoic acid has a molecular weight of 186.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)butanoic acid is sourced from PubChem (CID 66324485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).