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

C15H26N2O3 — CID 81161716

IUPAC2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCCC1(C(=O)NCC2(CC(=O)O)CCC2)CCNCC1
InChIInChI=1S/C15H26N2O3/c1-2-15(6-8-16-9-7-15)13(20)17-11-14(4-3-5-14)10-12(18)19/h16H,2-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyYZSZKMROLQNSTP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.53
Rot. Bonds6

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

2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81161716) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81161716
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCCC1(C(=O)NCC2(CC(=O)O)CCC2)CCNCC1
InChIInChI=1S/C15H26N2O3/c1-2-15(6-8-16-9-7-15)13(20)17-11-14(4-3-5-14)10-12(18)19/h16H,2-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyYZSZKMROLQNSTP-UHFFFAOYSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 103826138
2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
CID 115444268
2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81164780
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide
CID 113295139
1-[(4-ethylpiperidine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161885
2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104596692
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
1-[(4-ethylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63128909
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001579
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120638803
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid (CID 81161716) is 2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid is CCC1(C(=O)NCC2(CC(=O)O)CCC2)CCNCC1.
What is the InChIKey of 2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is YZSZKMROLQNSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-15(6-8-16-9-7-15)13(20)17-11-14(4-3-5-14)10-12(18)19/h16H,2-11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81161716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).