3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 107472105

IUPAC3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)CC(CN)C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)8-11(9-16)13(18)17-12-6-4-5-10(7-12)14(19)20/h10-12H,4-9,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyMKOYHJQSZDYELD-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.76
Rot. Bonds5

About 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid

3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 107472105) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID107472105
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)CC(CN)C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)8-11(9-16)13(18)17-12-6-4-5-10(7-12)14(19)20/h10-12H,4-9,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyMKOYHJQSZDYELD-UHFFFAOYSA-N
XLogP1.76
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,3R)-3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 7073973
3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 55147492
2-(aminomethyl)-4,4-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 107471384
3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 63044575
2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide
CID 107472618
2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide
CID 107472961
2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide
CID 107472463
2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
CID 107472858
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 63044400
2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide
CID 107471991
3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106330490
2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
CID 107472031

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid (CID 107472105) is 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid is CC(C)(C)CC(CN)C(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MKOYHJQSZDYELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)8-11(9-16)13(18)17-12-6-4-5-10(7-12)14(19)20/h10-12H,4-9,16H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107472105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).