1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid

C16H30N2O3 — CID 115445917

IUPAC1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)C(CCN)CCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)12(7-10-17)5-6-13(19)18-11-16(14(20)21)8-4-9-16/h12H,4-11,17H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyBEOQJUHGPHGWBZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.15
Rot. Bonds8

About 1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445917) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445917
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)C(CCN)CCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)12(7-10-17)5-6-13(19)18-11-16(14(20)21)8-4-9-16/h12H,4-11,17H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyBEOQJUHGPHGWBZ-UHFFFAOYSA-N
XLogP2.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(6-amino-4-methylhexanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433630
1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid
CID 81162326
1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450761
1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445871
1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 82853421
1-[(3,4,4-trimethylpentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362424
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450682
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445234
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 115445917) is 1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid is CC(C)(C)C(CCN)CCC(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is BEOQJUHGPHGWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)12(7-10-17)5-6-13(19)18-11-16(14(20)21)8-4-9-16/h12H,4-11,17H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).