ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate

C10H18N2O3 — CID 47586620

IUPACethyl 4-(carbamoylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(N)=O)CC1
InChIInChI=1S/C10H18N2O3/c1-2-15-9(13)7-3-5-8(6-4-7)12-10(11)14/h7-8H,2-6H2,1H3,(H3,11,12,14)
InChIKeyPKRGVJPWSYADLV-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.78
Rot. Bonds3

About ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate

ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate (PubChem CID 47586620) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(carbamoylamino)cyclohexane-1-carboxylate
PubChem CID47586620
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 4-(carbamoylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(N)=O)CC1
InChIInChI=1S/C10H18N2O3/c1-2-15-9(13)7-3-5-8(6-4-7)12-10(11)14/h7-8H,2-6H2,1H3,(H3,11,12,14)
InChIKeyPKRGVJPWSYADLV-UHFFFAOYSA-N
XLogP0.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate (CID 47586620) is ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(N)=O)CC1.
What is the InChIKey of ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate?
The InChIKey is PKRGVJPWSYADLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-15-9(13)7-3-5-8(6-4-7)12-10(11)14/h7-8H,2-6H2,1H3,(H3,11,12,14).
What are the key properties of ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate?
ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(carbamoylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 47586620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).