2-(cyclopentylmethoxy)propanoic acid

C9H16O3 — CID 66322360

IUPAC2-(cyclopentylmethoxy)propanoic acid
SMILESCC(OCC1CCCC1)C(=O)O
InChIInChI=1S/C9H16O3/c1-7(9(10)11)12-6-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyKRGZWYOPYWMXJF-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.67
Rot. Bonds4

About 2-(cyclopentylmethoxy)propanoic acid

2-(cyclopentylmethoxy)propanoic acid (PubChem CID 66322360) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)propanoic acid.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)propanoic acid
PubChem CID66322360
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(cyclopentylmethoxy)propanoic acid
SMILESCC(OCC1CCCC1)C(=O)O
InChIInChI=1S/C9H16O3/c1-7(9(10)11)12-6-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyKRGZWYOPYWMXJF-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxan-4-ylmethoxy)propanoic acid
CID 62384175
(2R)-2-(cyclohexylmethoxy)pentan-3-one
CID 163532136
2-(cyclobutylmethoxy)propanamide
CID 164935394
2-(cyclopentylmethoxy)propanehydrazide
CID 66321450
2-(cyclopentylmethoxy)butanoic acid
CID 66324485
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
3-amino-2-(cyclopentylmethoxy)propanoic acid
CID 66322940
2-[[2-(aminomethyl)cyclopentyl]methoxy]propanoic acid
CID 106940301
3-amino-2-(cyclohexylmethoxy)propanoic acid
CID 64695056
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid
CID 115731415

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)propanoic acid?
The IUPAC name of 2-(cyclopentylmethoxy)propanoic acid (CID 66322360) is 2-(cyclopentylmethoxy)propanoic acid.
What is the SMILES notation for 2-(cyclopentylmethoxy)propanoic acid?
The canonical SMILES for 2-(cyclopentylmethoxy)propanoic acid is CC(OCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(cyclopentylmethoxy)propanoic acid?
The InChIKey is KRGZWYOPYWMXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(9(10)11)12-6-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(cyclopentylmethoxy)propanoic acid?
2-(cyclopentylmethoxy)propanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)propanoic acid is sourced from PubChem (CID 66322360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).