1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid

C10H17NO4 — CID 24699851

IUPAC1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
SMILESCCOC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H17NO4/c1-2-15-9(14)11-10(8(12)13)6-4-3-5-7-10/h2-7H2,1H3,(H,11,14)(H,12,13)
InChIKeyCCZPGRQMZAYPRL-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.52
Rot. Bonds3

About 1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid

1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 24699851) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
PubChem CID24699851
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
SMILESCCOC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H17NO4/c1-2-15-9(14)11-10(8(12)13)6-4-3-5-7-10/h2-7H2,1H3,(H,11,14)(H,12,13)
InChIKeyCCZPGRQMZAYPRL-UHFFFAOYSA-N
XLogP1.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]cyclohexane-1-carboxylic acid
CID 110192625
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61498908
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935
ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate
CID 71507095
pentadecyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722475
nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722454
ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate
CID 104701385
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
CID 79845201
1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 103627584
1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114943563

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid (CID 24699851) is 1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid is CCOC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is CCZPGRQMZAYPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-15-9(14)11-10(8(12)13)6-4-3-5-7-10/h2-7H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid?
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 24699851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).