2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid

C14H24N2O3 — CID 79845570

IUPAC2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
SMILESCC1CC(C)CN(C(=O)NC2(CC(=O)O)CCC2)C1
InChIInChI=1S/C14H24N2O3/c1-10-6-11(2)9-16(8-10)13(19)15-14(4-3-5-14)7-12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHSACNKSXERQTNP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds3

About 2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79845570) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID79845570
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
SMILESCC1CC(C)CN(C(=O)NC2(CC(=O)O)CCC2)C1
InChIInChI=1S/C14H24N2O3/c1-10-6-11(2)9-16(8-10)13(19)15-14(4-3-5-14)7-12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHSACNKSXERQTNP-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,6-dimethylmorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64700428
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid
CID 64701697
2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 81475038
2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 102962682
2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79842690
2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79851776
2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid
CID 114411634
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid (CID 79845570) is 2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid is CC1CC(C)CN(C(=O)NC2(CC(=O)O)CCC2)C1.
What is the InChIKey of 2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is HSACNKSXERQTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-6-11(2)9-16(8-10)13(19)15-14(4-3-5-14)7-12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).