(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate

C9H14N2O5 — CID 22958843

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C9H14N2O5/c1-6-7(16-9(13)15-6)5-14-8(12)11-4-3-10-2/h10H,3-5H2,1-2H3,(H,11,12)
InChIKeyNLASQDAAHSGCOW-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.01
Rot. Bonds5

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate (PubChem CID 22958843) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate
PubChem CID22958843
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C9H14N2O5/c1-6-7(16-9(13)15-6)5-14-8(12)11-4-3-10-2/h10H,3-5H2,1-2H3,(H,11,12)
InChIKeyNLASQDAAHSGCOW-UHFFFAOYSA-N
XLogP-0.01
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate (CID 22958843) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate is CNCCNC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate?
The InChIKey is NLASQDAAHSGCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-6-7(16-9(13)15-6)5-14-8(12)11-4-3-10-2/h10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate has a molecular weight of 230.22 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 22958843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).