2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid

C14H24N2O4 — CID 102962682

IUPAC2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
SMILESCOC1CN(C(=O)NC2(CC(=O)O)CCC2)CCC1C
InChIInChI=1S/C14H24N2O4/c1-10-4-7-16(9-11(10)20-2)13(19)15-14(5-3-6-14)8-12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySUMWEJJBRLPHMP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds4

About 2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 102962682) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID102962682
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
SMILESCOC1CN(C(=O)NC2(CC(=O)O)CCC2)CCC1C
InChIInChI=1S/C14H24N2O4/c1-10-4-7-16(9-11(10)20-2)13(19)15-14(5-3-6-14)8-12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySUMWEJJBRLPHMP-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64700652
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid
CID 64700651
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79842690
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 81475038
4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 102962668
2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79842703
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838
2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid
CID 79916518
2-[1-[(2,6-dimethylmorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64700428

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid (CID 102962682) is 2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid is COC1CN(C(=O)NC2(CC(=O)O)CCC2)CCC1C.
What is the InChIKey of 2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is SUMWEJJBRLPHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-4-7-16(9-11(10)20-2)13(19)15-14(5-3-6-14)8-12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 102962682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).