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

C14H26N2O3 — CID 55121392

IUPAC1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCCNC(C)(C)C(=O)NC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C14H26N2O3/c1-5-15-13(3,4)11(17)16-14(12(18)19)8-6-7-10(2)9-14/h10,15H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyGSEOWPWDICHXRS-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.52
Rot. Bonds5

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

1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 55121392) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID55121392
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCCNC(C)(C)C(=O)NC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C14H26N2O3/c1-5-15-13(3,4)11(17)16-14(12(18)19)8-6-7-10(2)9-14/h10,15H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyGSEOWPWDICHXRS-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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Related Compounds

1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82236337
1-[(2-tert-butylsulfanylacetyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290328
1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 76897664
3-methyl-1-(pentan-3-ylamino)cyclohexane-1-carboxylic acid
CID 78969315
1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61294281
1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 79853770
1-[(3-amino-2-methylpropanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 62668574
3-methyl-1-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63227547
3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 65157180
1-(hexan-2-ylcarbamoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 62199336
1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291254

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid (CID 55121392) is 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid is CCNC(C)(C)C(=O)NC1(C(=O)O)CCCC(C)C1.
What is the InChIKey of 1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is GSEOWPWDICHXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-15-13(3,4)11(17)16-14(12(18)19)8-6-7-10(2)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]-3-methylcyclohexane-1-carboxylic acid?
1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-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]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 55121392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).