2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate

C9H18N2O3 — CID 83212137

IUPAC2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate
SMILESCC1CCC(CNCCOC(N)=O)O1
InChIInChI=1S/C9H18N2O3/c1-7-2-3-8(14-7)6-11-4-5-13-9(10)12/h7-8,11H,2-6H2,1H3,(H2,10,12)
InChIKeyNNMLNNNLAYHJGB-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.24
Rot. Bonds5

About 2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate

2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate (PubChem CID 83212137) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate
PubChem CID83212137
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate
SMILESCC1CCC(CNCCOC(N)=O)O1
InChIInChI=1S/C9H18N2O3/c1-7-2-3-8(14-7)6-11-4-5-13-9(10)12/h7-8,11H,2-6H2,1H3,(H2,10,12)
InChIKeyNNMLNNNLAYHJGB-UHFFFAOYSA-N
XLogP0.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate (CID 83212137) is 2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate is CC1CCC(CNCCOC(N)=O)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate?
The InChIKey is NNMLNNNLAYHJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7-2-3-8(14-7)6-11-4-5-13-9(10)12/h7-8,11H,2-6H2,1H3,(H2,10,12).
What are the key properties of 2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate?
2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate is sourced from PubChem (CID 83212137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).