(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate

C10H14N2O6 — CID 155596809

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate
SMILESCC(=O)NCCNC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C10H14N2O6/c1-6-8(18-10(15)17-6)5-16-9(14)12-4-3-11-7(2)13/h3-5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyLXKWFYVYHJQEBA-UHFFFAOYSA-N
MW258.23 g/mol
LogP-0.10
Rot. Bonds5

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate (PubChem CID 155596809) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate
PubChem CID155596809
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate
SMILESCC(=O)NCCNC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C10H14N2O6/c1-6-8(18-10(15)17-6)5-16-9(14)12-4-3-11-7(2)13/h3-5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyLXKWFYVYHJQEBA-UHFFFAOYSA-N
XLogP-0.10
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-0.10
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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Related Compounds

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate
CID 22958843
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-ethylcarbamate
CID 123142560
methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate
CID 129097313
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate
CID 129097314
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]carbamate
CID 129124753
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate
CID 129124819
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]-N-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethyl]carbamate
CID 129124820
ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate
CID 155596808
acetaldehyde;ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(methylamino)ethyl]carbamate
CID 155596873
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-(carbamoylamino)ethyl]carbamate
CID 155596917
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-butylcarbamate
CID 163819212
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-propylcarbamate
CID 164595427

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate (CID 155596809) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate is CC(=O)NCCNC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate?
The InChIKey is LXKWFYVYHJQEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-6-8(18-10(15)17-6)5-16-9(14)12-4-3-11-7(2)13/h3-5H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-acetamidoethyl)carbamate has a molecular weight of 258.23 g/mol, XLogP of -0.10, 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-acetamidoethyl)carbamate is sourced from PubChem (CID 155596809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).