butyl N-(2-amino-2-oxoethoxy)carbamate

C7H14N2O4 — CID 54092623

IUPACbutyl N-(2-amino-2-oxoethoxy)carbamate
SMILESCCCCOC(=O)NOCC(N)=O
InChIInChI=1S/C7H14N2O4/c1-2-3-4-12-7(11)9-13-5-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11)
InChIKeyMUXGTRVSOHGLRZ-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.07
Rot. Bonds6

About butyl N-(2-amino-2-oxoethoxy)carbamate

butyl N-(2-amino-2-oxoethoxy)carbamate (PubChem CID 54092623) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is butyl N-(2-amino-2-oxoethoxy)carbamate.

Molecular Properties

Compound Namebutyl N-(2-amino-2-oxoethoxy)carbamate
PubChem CID54092623
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Namebutyl N-(2-amino-2-oxoethoxy)carbamate
SMILESCCCCOC(=O)NOCC(N)=O
InChIInChI=1S/C7H14N2O4/c1-2-3-4-12-7(11)9-13-5-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11)
InChIKeyMUXGTRVSOHGLRZ-UHFFFAOYSA-N
XLogP-0.07
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethoxy)pentanamide
CID 112550822
N-(2-amino-2-oxoethoxy)butanamide
CID 112550491
butoxycarbonylcarbamic acid
CID 22136826
butyl N-(butoxycarbonylsulfamoyl)carbamate
CID 71414094
butyl hydrogen carbonate
CID 157271096
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
4-(butoxycarbamoyloxy)-2-methylidenebutanoic acid
CID 122598325
(butoxycarbonylamino) 2,2-dimethylpropanoate
CID 174862804
butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydroiodide
CID 161347358
2-(propylaminooxy)acetamide
CID 112673221

Frequently Asked Questions

What is the IUPAC name of butyl N-(2-amino-2-oxoethoxy)carbamate?
The IUPAC name of butyl N-(2-amino-2-oxoethoxy)carbamate (CID 54092623) is butyl N-(2-amino-2-oxoethoxy)carbamate.
What is the SMILES notation for butyl N-(2-amino-2-oxoethoxy)carbamate?
The canonical SMILES for butyl N-(2-amino-2-oxoethoxy)carbamate is CCCCOC(=O)NOCC(N)=O.
What is the InChIKey of butyl N-(2-amino-2-oxoethoxy)carbamate?
The InChIKey is MUXGTRVSOHGLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-2-3-4-12-7(11)9-13-5-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of butyl N-(2-amino-2-oxoethoxy)carbamate?
butyl N-(2-amino-2-oxoethoxy)carbamate has a molecular weight of 190.20 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2-amino-2-oxoethoxy)carbamate is sourced from PubChem (CID 54092623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).