4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid

C14H25NO4 — CID 43163264

IUPAC4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)OCC(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H25NO4/c1-4-11-5-7-14(8-6-11,12(16)17)15-13(18)19-9-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyVBNIFWJFTTYTFD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.79
Rot. Bonds5

About 4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid

4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 43163264) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid
PubChem CID43163264
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)OCC(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H25NO4/c1-4-11-5-7-14(8-6-11,12(16)17)15-13(18)19-9-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyVBNIFWJFTTYTFD-UHFFFAOYSA-N
XLogP2.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 103870909
1-(2-methylpropoxycarbonylamino)-4-methylsulfonyloxycyclohexane-1-carboxylic acid
CID 142785447
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
4-ethyl-1-(4-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61197269
1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61160800
4-ethyl-1-[(2-propan-2-ylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 43172614
1-[[butan-2-yl(methyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61196629
4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid
CID 62838707
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
1-[2-(carbamoylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 83113849
4-ethyl-1-[2-(oxan-4-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120688305

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid (CID 43163264) is 4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)OCC(C)C)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is VBNIFWJFTTYTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-11-5-7-14(8-6-11,12(16)17)15-13(18)19-9-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid?
4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43163264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).