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

C11H20N2O3 — CID 115445879

IUPAC1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESNCCCCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C11H20N2O3/c12-7-2-1-4-9(14)13-8-11(10(15)16)5-3-6-11/h1-8,12H2,(H,13,14)(H,15,16)
InChIKeySHQGFMWADFERJO-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.49
Rot. Bonds7

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

1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445879) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115445879
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESNCCCCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C11H20N2O3/c12-7-2-1-4-9(14)13-8-11(10(15)16)5-3-6-11/h1-8,12H2,(H,13,14)(H,15,16)
InChIKeySHQGFMWADFERJO-UHFFFAOYSA-N
XLogP0.49
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361686
1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 82853421
1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445871
1-[(4-methoxybutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362249
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[[(6-amino-4-methylhexanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433630
1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361691
1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445234
1-[[4-(2,2-dimethylpropanoylamino)butanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369445
1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445917
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-[(4-methylsulfanylbutanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 120544296

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid (CID 115445879) is 1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid is NCCCCC(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is SHQGFMWADFERJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-7-2-1-4-9(14)13-8-11(10(15)16)5-3-6-11/h1-8,12H2,(H,13,14)(H,15,16).
What are the key properties of 1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).