1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid

C12H22N2O3 — CID 82853421

IUPAC1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCC(N)CCCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C12H22N2O3/c1-9(13)4-2-5-10(15)14-8-12(11(16)17)6-3-7-12/h9H,2-8,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyIEPBYZYYNXXHLW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.88
Rot. Bonds7

About 1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid

1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 82853421) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID82853421
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCC(N)CCCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C12H22N2O3/c1-9(13)4-2-5-10(15)14-8-12(11(16)17)6-3-7-12/h9H,2-8,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyIEPBYZYYNXXHLW-UHFFFAOYSA-N
XLogP0.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450682
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]hexanamide
CID 82853951
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
1-[[(6-amino-4-methylhexanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433630
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[(4-methoxybutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362249
1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445917
1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361686
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774
1-[[4-(2,2-dimethylpropanoylamino)butanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369445
1-[(4-methylsulfanylbutanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 120544296

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid (CID 82853421) is 1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid is CC(N)CCCC(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is IEPBYZYYNXXHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(13)4-2-5-10(15)14-8-12(11(16)17)6-3-7-12/h9H,2-8,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 82853421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).