1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid

C13H24N2O3 — CID 107472477

IUPAC1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)CC(CN)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)7-9(8-14)10(16)15-13(11(17)18)5-4-6-13/h9H,4-8,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyQWTSGSZITUPLKY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds5

About 1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 107472477) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID107472477
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)CC(CN)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)7-9(8-14)10(16)15-13(11(17)18)5-4-6-13/h9H,4-8,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyQWTSGSZITUPLKY-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-(1-methylcyclopentyl)pentanamide
CID 107471899
2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide
CID 107472051
2-[1-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]cyclobutyl]acetic acid
CID 107472478
1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid
CID 82984418
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 76894061
1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid
CID 81161173
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
CID 107472063
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 107472105
2-(aminomethyl)-4,4-dimethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 114094166
1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid
CID 81162326

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid (CID 107472477) is 1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid is CC(C)(C)CC(CN)C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is QWTSGSZITUPLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)7-9(8-14)10(16)15-13(11(17)18)5-4-6-13/h9H,4-8,14H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 107472477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).