4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 62845996

IUPAC4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)C(C)(C)NC)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-5-10-6-8-14(9-7-10,12(18)19)16-11(17)13(2,3)15-4/h10,15H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyRKSFQRAKGWQXCD-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.52
Rot. Bonds5

About 4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 62845996) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID62845996
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)C(C)(C)NC)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-5-10-6-8-14(9-7-10,12(18)19)16-11(17)13(2,3)15-4/h10,15H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyRKSFQRAKGWQXCD-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-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
1-[[2-methyl-2-(methylamino)propanoyl]amino]cycloheptane-1-carboxylic acid
CID 62846183
4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61186572
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
4-ethyl-1-[[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120530140
1-[[butan-2-yl(methyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61196629
4-ethyl-1-[[(2R)-pyrrolidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 103870910
4-ethyl-1-[(2-propan-2-ylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 43172614
4-ethyl-1-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63122559

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid (CID 62845996) is 4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)C(C)(C)NC)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is RKSFQRAKGWQXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-10-6-8-14(9-7-10,12(18)19)16-11(17)13(2,3)15-4/h10,15H,5-9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-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 4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62845996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).