2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid

C10H16O4 — CID 11672870

IUPAC2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
SMILESCOC(=O)C(CC1CCCC1)C(=O)O
InChIInChI=1S/C10H16O4/c1-14-10(13)8(9(11)12)6-7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyFPSUQQJFMXNZBU-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.44
Rot. Bonds4

About 2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid

2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid (PubChem CID 11672870) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
PubChem CID11672870
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
SMILESCOC(=O)C(CC1CCCC1)C(=O)O
InChIInChI=1S/C10H16O4/c1-14-10(13)8(9(11)12)6-7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyFPSUQQJFMXNZBU-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
3-(cyanomethylamino)-2-(cyclohexylmethyl)-3-oxopropanoic acid
CID 87850180
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
methyl 3-cyclobutyl-2-fluoropropanoate
CID 105431407
2-cyclopentyl-3-methoxy-3-oxopropanoic acid
CID 103973424
methyl 2-(cyclohexylmethyl)-3-hydroxy-3-methylbutanoate
CID 164683725
methyl (2S,3S)-3-amino-2-azido-4-cyclohexylbutanoate;hydrochloride
CID 18631415
(2S)-4-(cyclohexylmethyl)-5-methoxy-5-oxo-2-sulfopentanoic acid
CID 130274775
(2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid
CID 57007791
4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine
CID 158068360
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid?
The IUPAC name of 2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid (CID 11672870) is 2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid.
What is the SMILES notation for 2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid?
The canonical SMILES for 2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid is COC(=O)C(CC1CCCC1)C(=O)O.
What is the InChIKey of 2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid?
The InChIKey is FPSUQQJFMXNZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-14-10(13)8(9(11)12)6-7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid?
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid is sourced from PubChem (CID 11672870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).