3-(1-methoxycarbonylcyclopentyl)propanoic acid

C10H16O4 — CID 53429177

IUPAC3-(1-methoxycarbonylcyclopentyl)propanoic acid
SMILESCOC(=O)C1(CCC(=O)O)CCCC1
InChIInChI=1S/C10H16O4/c1-14-9(13)10(5-2-3-6-10)7-4-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyZPFYCWFBOMFSHL-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.58
Rot. Bonds4

About 3-(1-methoxycarbonylcyclopentyl)propanoic acid

3-(1-methoxycarbonylcyclopentyl)propanoic acid (PubChem CID 53429177) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-(1-methoxycarbonylcyclopentyl)propanoic acid.

Molecular Properties

Compound Name3-(1-methoxycarbonylcyclopentyl)propanoic acid
PubChem CID53429177
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-(1-methoxycarbonylcyclopentyl)propanoic acid
SMILESCOC(=O)C1(CCC(=O)O)CCCC1
InChIInChI=1S/C10H16O4/c1-14-9(13)10(5-2-3-6-10)7-4-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyZPFYCWFBOMFSHL-UHFFFAOYSA-N
XLogP1.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycarbonylcyclopentyl)propanoic acid?
The IUPAC name of 3-(1-methoxycarbonylcyclopentyl)propanoic acid (CID 53429177) is 3-(1-methoxycarbonylcyclopentyl)propanoic acid.
What is the SMILES notation for 3-(1-methoxycarbonylcyclopentyl)propanoic acid?
The canonical SMILES for 3-(1-methoxycarbonylcyclopentyl)propanoic acid is COC(=O)C1(CCC(=O)O)CCCC1.
What is the InChIKey of 3-(1-methoxycarbonylcyclopentyl)propanoic acid?
The InChIKey is ZPFYCWFBOMFSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-14-9(13)10(5-2-3-6-10)7-4-8(11)12/h2-7H2,1H3,(H,11,12).
What are the key properties of 3-(1-methoxycarbonylcyclopentyl)propanoic acid?
3-(1-methoxycarbonylcyclopentyl)propanoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycarbonylcyclopentyl)propanoic acid is sourced from PubChem (CID 53429177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).