1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid

C12H20N2O4 — CID 106588000

IUPAC1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid
SMILESCOCC1CCCN(C(=O)NC2(C(=O)O)CC2)C1
InChIInChI=1S/C12H20N2O4/c1-18-8-9-3-2-6-14(7-9)11(17)13-12(4-5-12)10(15)16/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyUAZWTZAROHDKQM-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds4

About 1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid

1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 106588000) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid
PubChem CID106588000
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid
SMILESCOCC1CCCN(C(=O)NC2(C(=O)O)CC2)C1
InChIInChI=1S/C12H20N2O4/c1-18-8-9-3-2-6-14(7-9)11(17)13-12(4-5-12)10(15)16/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyUAZWTZAROHDKQM-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64596804
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 64598227
1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81162733
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 61408559
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115292892
4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293203
4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 106587525
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263
4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 106587983
3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106588055

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid (CID 106588000) is 1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid is COCC1CCCN(C(=O)NC2(C(=O)O)CC2)C1.
What is the InChIKey of 1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is UAZWTZAROHDKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-18-8-9-3-2-6-14(7-9)11(17)13-12(4-5-12)10(15)16/h9H,2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid?
1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106588000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).