2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

C12H19NO4 — CID 63971917

IUPAC2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCOCC1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C12H19NO4/c1-17-7-8-2-4-13(5-3-8)11(14)9-6-10(9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyTWTDPHXGPUPQEE-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.59
Rot. Bonds4

About 2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 63971917) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID63971917
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCOCC1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C12H19NO4/c1-17-7-8-2-4-13(5-3-8)11(14)9-6-10(9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyTWTDPHXGPUPQEE-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6R)-6-[4-(methoxymethyl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 104962457
cis-(1S,2R)-2-[4-(acetamidomethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 114093135
[4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone
CID 79384209
cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93378488
cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114092440
2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 115730377
2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 155944065
[4-(methoxymethyl)piperidin-1-yl]-(6-methylpiperidin-3-yl)methanone
CID 63978051
1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 64599644
2-(4-ethylazepane-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391052
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62936035

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 63971917) is 2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is COCC1CCN(C(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is TWTDPHXGPUPQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-17-7-8-2-4-13(5-3-8)11(14)9-6-10(9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 63971917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).