2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid

C15H24O5 — CID 103974658

IUPAC2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid
SMILESCOC(=O)C(CCC1CCCO1)(C(=O)O)C1CCCC1
InChIInChI=1S/C15H24O5/c1-19-14(18)15(13(16)17,11-5-2-3-6-11)9-8-12-7-4-10-20-12/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyLXQHZZKFHPZWJH-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.38
Rot. Bonds6

About 2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid

2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid (PubChem CID 103974658) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid
PubChem CID103974658
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid
SMILESCOC(=O)C(CCC1CCCO1)(C(=O)O)C1CCCC1
InChIInChI=1S/C15H24O5/c1-19-14(18)15(13(16)17,11-5-2-3-6-11)9-8-12-7-4-10-20-12/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyLXQHZZKFHPZWJH-UHFFFAOYSA-N
XLogP2.38
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 83148663
2-cyclopentyl-5,5,5-trifluoro-2-methoxycarbonylpentanoic acid
CID 103974632
2-ethoxycarbonyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 103973806
2-cyclopentyl-3-methoxy-2-(oxan-4-ylmethyl)-3-oxopropanoic acid
CID 103974672
2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 106487285
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid
CID 63323875
methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
CID 106493583
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 113360294
1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol
CID 65161751
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid?
The IUPAC name of 2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid (CID 103974658) is 2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid.
What is the SMILES notation for 2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid?
The canonical SMILES for 2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid is COC(=O)C(CCC1CCCO1)(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid?
The InChIKey is LXQHZZKFHPZWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-19-14(18)15(13(16)17,11-5-2-3-6-11)9-8-12-7-4-10-20-12/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid?
2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid has a molecular weight of 284.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid is sourced from PubChem (CID 103974658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).