2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid

C15H26N2O4 — CID 81156098

IUPAC2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESCOCC1CCN(C(=O)NCC2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C15H26N2O4/c1-21-10-12-3-7-17(8-4-12)14(20)16-11-15(5-2-6-15)9-13(18)19/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyUTQBPHCLSFKHFX-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.70
Rot. Bonds6

About 2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81156098) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81156098
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESCOCC1CCN(C(=O)NCC2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C15H26N2O4/c1-21-10-12-3-7-17(8-4-12)14(20)16-11-15(5-2-6-15)9-13(18)19/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyUTQBPHCLSFKHFX-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81162804
2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103536134
1-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436961
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 63977490
1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006584
2-[1-[[(3-carbamoylpiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81148975
4-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440579
2-cyclopentyl-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 121091445
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64596804
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid (CID 81156098) is 2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid is COCC1CCN(C(=O)NCC2(CC(=O)O)CCC2)CC1.
What is the InChIKey of 2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is UTQBPHCLSFKHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-21-10-12-3-7-17(8-4-12)14(20)16-11-15(5-2-6-15)9-13(18)19/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81156098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).