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

C14H26N2O3 — CID 55121243

IUPAC1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCCNC(C)(C)C(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-15-13(3,4)11(17)16-14(12(18)19)8-6-10(2)7-9-14/h10,15H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyMTGANIKKDQNWSX-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.52
Rot. Bonds5

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

1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 55121243) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID55121243
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCCNC(C)(C)C(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-15-13(3,4)11(17)16-14(12(18)19)8-6-10(2)7-9-14/h10,15H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyMTGANIKKDQNWSX-UHFFFAOYSA-N
XLogP1.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid (CID 55121243) is 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid is CCNC(C)(C)C(=O)NC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is MTGANIKKDQNWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-15-13(3,4)11(17)16-14(12(18)19)8-6-10(2)7-9-14/h10,15H,5-9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid?
1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 55121243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).