azane;ethyl carbamate;prop-2-enoic acid

C6H14N2O4 — CID 172762605

IUPACazane;ethyl carbamate;prop-2-enoic acid
SMILESC=CC(=O)O.CCOC(N)=O.N
InChIInChI=1S/C3H7NO2.C3H4O2.H3N/c1-2-6-3(4)5;1-2-3(4)5;/h2H2,1H3,(H2,4,5);2H,1H2,(H,4,5);1H3
InChIKeyLWTMUSZXWXLIPB-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.52
Rot. Bonds2

About azane;ethyl carbamate;prop-2-enoic acid

azane;ethyl carbamate;prop-2-enoic acid (PubChem CID 172762605) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is azane;ethyl carbamate;prop-2-enoic acid.

Molecular Properties

Compound Nameazane;ethyl carbamate;prop-2-enoic acid
PubChem CID172762605
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Nameazane;ethyl carbamate;prop-2-enoic acid
SMILESC=CC(=O)O.CCOC(N)=O.N
InChIInChI=1S/C3H7NO2.C3H4O2.H3N/c1-2-6-3(4)5;1-2-3(4)5;/h2H2,1H3,(H2,4,5);2H,1H2,(H,4,5);1H3
InChIKeyLWTMUSZXWXLIPB-UHFFFAOYSA-N
XLogP0.52
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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ethyl carbamate
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1,1'-biphenyl;(Z)-but-2-enedioic acid;ethyl carbamate;prop-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of azane;ethyl carbamate;prop-2-enoic acid?
The IUPAC name of azane;ethyl carbamate;prop-2-enoic acid (CID 172762605) is azane;ethyl carbamate;prop-2-enoic acid.
What is the SMILES notation for azane;ethyl carbamate;prop-2-enoic acid?
The canonical SMILES for azane;ethyl carbamate;prop-2-enoic acid is C=CC(=O)O.CCOC(N)=O.N.
What is the InChIKey of azane;ethyl carbamate;prop-2-enoic acid?
The InChIKey is LWTMUSZXWXLIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C3H4O2.H3N/c1-2-6-3(4)5;1-2-3(4)5;/h2H2,1H3,(H2,4,5);2H,1H2,(H,4,5);1H3.
What are the key properties of azane;ethyl carbamate;prop-2-enoic acid?
azane;ethyl carbamate;prop-2-enoic acid has a molecular weight of 178.19 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl carbamate;prop-2-enoic acid is sourced from PubChem (CID 172762605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).