1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid

C14H26N2O3 — CID 115445871

IUPAC1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(CCN)CCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H26N2O3/c1-13(2,8-9-15)7-4-11(17)16-10-14(12(18)19)5-3-6-14/h3-10,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIHLOJHPTMJISTP-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.51
Rot. Bonds8

About 1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445871) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445871
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(CCN)CCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H26N2O3/c1-13(2,8-9-15)7-4-11(17)16-10-14(12(18)19)5-3-6-14/h3-10,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIHLOJHPTMJISTP-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445234
6-amino-4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]hexanamide
CID 65291143
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445917
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[[(6-amino-4-methylhexanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433630
1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
CID 65292395
4-[[(4-amino-4-methylpentanoyl)amino]methyl]oxane-4-carboxylic acid
CID 115439832
1-[[4-(2,2-dimethylpropanoylamino)butanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369445
1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid
CID 65292201
1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81361889
1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445840

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 115445871) is 1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid is CC(C)(CCN)CCC(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is IHLOJHPTMJISTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,8-9-15)7-4-11(17)16-10-14(12(18)19)5-3-6-14/h3-10,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).