2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid

C15H28N2O3 — CID 81162248

IUPAC2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid
SMILESCCC(CCN)CCC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C15H28N2O3/c1-2-12(6-9-16)4-5-13(18)17-11-15(7-3-8-15)10-14(19)20/h12H,2-11,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyPILLIESGISHQEZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.90
Rot. Bonds10

About 2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81162248) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81162248
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid
SMILESCCC(CCN)CCC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C15H28N2O3/c1-2-12(6-9-16)4-5-13(18)17-11-15(7-3-8-15)10-14(19)20/h12H,2-11,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyPILLIESGISHQEZ-UHFFFAOYSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide
CID 113313291
2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
CID 81161274
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
4-amino-N-[(1-ethylcyclobutyl)methyl]pentanamide
CID 106813317
2-[1-[[(4-amino-4-methylpentanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81161804
6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101353
6-amino-4-ethyl-N-[(1-hydroxy-3-methylcyclohexyl)methyl]hexanamide
CID 65120096
2-[1-[(3-propoxypropanoylamino)methyl]cyclobutyl]acetic acid
CID 81164500
3-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 119326669
2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81161542
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]hexanamide
CID 82853951
2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
CID 115444268

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid (CID 81162248) is 2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid is CCC(CCN)CCC(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is PILLIESGISHQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-12(6-9-16)4-5-13(18)17-11-15(7-3-8-15)10-14(19)20/h12H,2-11,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 1.90, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81162248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).