1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid

C15H28N2O3 — CID 115442610

IUPAC1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCCNCC(C)C(=O)NCC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C15H28N2O3/c1-4-16-9-12(3)13(18)17-10-15(14(19)20)7-5-11(2)6-8-15/h11-12,16H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyKDGKNMRHUIZDLC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.63
Rot. Bonds7

About 1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid

1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115442610) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115442610
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCCNCC(C)C(=O)NCC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C15H28N2O3/c1-4-16-9-12(3)13(18)17-10-15(14(19)20)7-5-11(2)6-8-15/h11-12,16H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyKDGKNMRHUIZDLC-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 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 ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(2-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442601
1-[[3-(ethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442654
1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442596
4-methyl-1-[(2-methylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115443043
1-[[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103930383
4-methyl-1-[(propan-2-yloxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115441052
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442554
4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115441025
1-[[(4-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442615
1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442622
1-[(1-cyclopropylpropan-2-ylcarbamoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443063
1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443019

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115442610) is 1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid is CCNCC(C)C(=O)NCC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is KDGKNMRHUIZDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-16-9-12(3)13(18)17-10-15(14(19)20)7-5-11(2)6-8-15/h11-12,16H,4-10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115442610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).