[1-(ethoxycarbonylamino)cyclohexyl]carbamic acid

C10H18N2O4 — CID 139822501

IUPAC[1-(ethoxycarbonylamino)cyclohexyl]carbamic acid
SMILESCCOC(=O)NC1(NC(=O)O)CCCCC1
InChIInChI=1S/C10H18N2O4/c1-2-16-9(15)12-10(11-8(13)14)6-4-3-5-7-10/h11H,2-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyHLHLMLFCOFNWCD-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.66
Rot. Bonds3

About [1-(ethoxycarbonylamino)cyclohexyl]carbamic acid

[1-(ethoxycarbonylamino)cyclohexyl]carbamic acid (PubChem CID 139822501) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is [1-(ethoxycarbonylamino)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[1-(ethoxycarbonylamino)cyclohexyl]carbamic acid
PubChem CID139822501
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name[1-(ethoxycarbonylamino)cyclohexyl]carbamic acid
SMILESCCOC(=O)NC1(NC(=O)O)CCCCC1
InChIInChI=1S/C10H18N2O4/c1-2-16-9(15)12-10(11-8(13)14)6-4-3-5-7-10/h11H,2-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyHLHLMLFCOFNWCD-UHFFFAOYSA-N
XLogP1.66
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(ethoxycarbonylamino)cyclohexyl]carbamic acid?
The IUPAC name of [1-(ethoxycarbonylamino)cyclohexyl]carbamic acid (CID 139822501) is [1-(ethoxycarbonylamino)cyclohexyl]carbamic acid.
What is the SMILES notation for [1-(ethoxycarbonylamino)cyclohexyl]carbamic acid?
The canonical SMILES for [1-(ethoxycarbonylamino)cyclohexyl]carbamic acid is CCOC(=O)NC1(NC(=O)O)CCCCC1.
What is the InChIKey of [1-(ethoxycarbonylamino)cyclohexyl]carbamic acid?
The InChIKey is HLHLMLFCOFNWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-16-9(15)12-10(11-8(13)14)6-4-3-5-7-10/h11H,2-7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of [1-(ethoxycarbonylamino)cyclohexyl]carbamic acid?
[1-(ethoxycarbonylamino)cyclohexyl]carbamic acid has a molecular weight of 230.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethoxycarbonylamino)cyclohexyl]carbamic acid is sourced from PubChem (CID 139822501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).