2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid

C14H24N2O4 — CID 106588104

IUPAC2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
SMILESCOCC1CCCN(C(=O)NC2(CC(=O)O)CCC2)C1
InChIInChI=1S/C14H24N2O4/c1-20-10-11-4-2-7-16(9-11)13(19)15-14(5-3-6-14)8-12(17)18/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyJOSMWBNNQWQVKT-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds5

About 2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid

2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 106588104) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID106588104
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
SMILESCOCC1CCCN(C(=O)NC2(CC(=O)O)CCC2)C1
InChIInChI=1S/C14H24N2O4/c1-20-10-11-4-2-7-16(9-11)13(19)15-14(5-3-6-14)8-12(17)18/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyJOSMWBNNQWQVKT-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 106588000
2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 102962682
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid
CID 119217371
2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79842703
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64700652
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79842690
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64596804
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid (CID 106588104) is 2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid is COCC1CCCN(C(=O)NC2(CC(=O)O)CCC2)C1.
What is the InChIKey of 2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is JOSMWBNNQWQVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-20-10-11-4-2-7-16(9-11)13(19)15-14(5-3-6-14)8-12(17)18/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid?
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 106588104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).