1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid

C14H26N2O3 — CID 115442596

IUPAC1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCCCC(N)C(=O)NCC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H26N2O3/c1-3-4-11(15)12(17)16-9-14(13(18)19)7-5-10(2)6-8-14/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySDQHWTXVKRRUPN-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.51
Rot. Bonds6

About 1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid

1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115442596) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115442596
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCCCC(N)C(=O)NCC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H26N2O3/c1-3-4-11(15)12(17)16-9-14(13(18)19)7-5-10(2)6-8-14/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySDQHWTXVKRRUPN-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450692
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442554
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107570322
1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442622
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-[[(2-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442601
1-[[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103930383
1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309229
1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442610
4-methyl-1-[(propan-2-yloxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115441052
2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797625

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115442596) is 1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid is CCCC(N)C(=O)NCC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is SDQHWTXVKRRUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-4-11(15)12(17)16-9-14(13(18)19)7-5-10(2)6-8-14/h10-11H,3-9,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115442596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).