2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate

C7H14N2O5 — CID 568339

IUPAC2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate
SMILESCCN(O)C(=O)OCCNC(=O)OC
InChIInChI=1S/C7H14N2O5/c1-3-9(12)7(11)14-5-4-8-6(10)13-2/h12H,3-5H2,1-2H3,(H,8,10)
InChIKeyMUJXCEBFOOCGFJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.19
Rot. Bonds4

About 2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate

2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate (PubChem CID 568339) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate.

Molecular Properties

Compound Name2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate
PubChem CID568339
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate
SMILESCCN(O)C(=O)OCCNC(=O)OC
InChIInChI=1S/C7H14N2O5/c1-3-9(12)7(11)14-5-4-8-6(10)13-2/h12H,3-5H2,1-2H3,(H,8,10)
InChIKeyMUJXCEBFOOCGFJ-UHFFFAOYSA-N
XLogP0.19
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate
CID 141246578
methyl N-(2-aminoethyl)carbamate;propane
CID 160898455
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-(3-aminooxypropyl)carbamate
CID 59658343
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl N-[2-(propanoylamino)ethyl]carbamate
CID 108574125
methyl N-(2-fluoroethyl)carbamate
CID 14512865
methyl N,N-bis[3-(methoxycarbonylamino)propyl]carbamate
CID 91748741
2-methoxyethyl 3-(methoxycarbonylamino)propanoate
CID 71878122
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
methyl N-nonylcarbamate
CID 5102101

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate?
The IUPAC name of 2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate (CID 568339) is 2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate.
What is the SMILES notation for 2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate?
The canonical SMILES for 2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate is CCN(O)C(=O)OCCNC(=O)OC.
What is the InChIKey of 2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate?
The InChIKey is MUJXCEBFOOCGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5/c1-3-9(12)7(11)14-5-4-8-6(10)13-2/h12H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate?
2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate has a molecular weight of 206.20 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)ethyl N-ethyl-N-hydroxycarbamate is sourced from PubChem (CID 568339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).