1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid

C15H26N2O3 — CID 115442649

IUPAC1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)C2(N)CCCC2)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-11-4-8-14(9-5-11,13(19)20)10-17-12(18)15(16)6-2-3-7-15/h11H,2-10,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyMYOHOVNXBFOPNX-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.66
Rot. Bonds4

About 1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid

1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115442649) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115442649
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)C2(N)CCCC2)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-11-4-8-14(9-5-11,13(19)20)10-17-12(18)15(16)6-2-3-7-15/h11H,2-10,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyMYOHOVNXBFOPNX-UHFFFAOYSA-N
XLogP1.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439913
4-methyl-1-[(propan-2-yloxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115441052
1-[[(3-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442563
1-[[(2-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442601
1-[[(2-acetamidoacetyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113310356
1-[[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103930383
1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440979
1-[[[2-(aminomethyl)cyclopentanecarbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442593
1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442596
1-[[(4-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442615
4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104901353

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115442649) is 1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(CNC(=O)C2(N)CCCC2)(C(=O)O)CC1.
What is the InChIKey of 1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is MYOHOVNXBFOPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-4-8-14(9-5-11,13(19)20)10-17-12(18)15(16)6-2-3-7-15/h11H,2-10,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115442649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).