1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 115436421

IUPAC1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CC(CN)C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-11(2)8-12(9-16)13(18)17-10-15(14(19)20)6-4-3-5-7-15/h11-12H,3-10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJUBGCSJHLNQFGU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.76
Rot. Bonds7

About 1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436421) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436421
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CC(CN)C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-11(2)8-12(9-16)13(18)17-10-15(14(19)20)6-4-3-5-7-15/h11-12H,3-10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJUBGCSJHLNQFGU-UHFFFAOYSA-N
XLogP1.76
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312287
1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 104903843
1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415
1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450693
1-[(2-ethylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362342
1-[[[methyl(4-methylpentan-2-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436843
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107570315
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 107570320
1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81367949
4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid
CID 104903845
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436305

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 115436421) is 1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid is CC(C)CC(CN)C(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is JUBGCSJHLNQFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)8-12(9-16)13(18)17-10-15(14(19)20)6-4-3-5-7-15/h11-12H,3-10,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).