[1-(methylamino)-1-oxopropan-2-yl] formate

C5H9NO3 — CID 89053877

IUPAC[1-(methylamino)-1-oxopropan-2-yl] formate
SMILESCNC(=O)C(C)OC=O
InChIInChI=1S/C5H9NO3/c1-4(9-3-7)5(8)6-2/h3-4H,1-2H3,(H,6,8)
InChIKeyLGHIECIEPNBVLB-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.71
Rot. Bonds3

About [1-(methylamino)-1-oxopropan-2-yl] formate

[1-(methylamino)-1-oxopropan-2-yl] formate (PubChem CID 89053877) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is [1-(methylamino)-1-oxopropan-2-yl] formate.

Molecular Properties

Compound Name[1-(methylamino)-1-oxopropan-2-yl] formate
PubChem CID89053877
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name[1-(methylamino)-1-oxopropan-2-yl] formate
SMILESCNC(=O)C(C)OC=O
InChIInChI=1S/C5H9NO3/c1-4(9-3-7)5(8)6-2/h3-4H,1-2H3,(H,6,8)
InChIKeyLGHIECIEPNBVLB-UHFFFAOYSA-N
XLogP-0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-1-oxopropan-2-yl] formate?
The IUPAC name of [1-(methylamino)-1-oxopropan-2-yl] formate (CID 89053877) is [1-(methylamino)-1-oxopropan-2-yl] formate.
What is the SMILES notation for [1-(methylamino)-1-oxopropan-2-yl] formate?
The canonical SMILES for [1-(methylamino)-1-oxopropan-2-yl] formate is CNC(=O)C(C)OC=O.
What is the InChIKey of [1-(methylamino)-1-oxopropan-2-yl] formate?
The InChIKey is LGHIECIEPNBVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(9-3-7)5(8)6-2/h3-4H,1-2H3,(H,6,8).
What are the key properties of [1-(methylamino)-1-oxopropan-2-yl] formate?
[1-(methylamino)-1-oxopropan-2-yl] formate has a molecular weight of 131.13 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-1-oxopropan-2-yl] formate is sourced from PubChem (CID 89053877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).