2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide

C11H22N2O3 — CID 104759884

IUPAC2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
SMILESCCC(CN)C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C11H22N2O3/c1-3-9(6-12)10(14)13-7-11(15-2)4-5-16-8-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyBWCOXOPHLKBFMZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.11
Rot. Bonds6

About 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide

2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide (PubChem CID 104759884) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
PubChem CID104759884
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
SMILESCCC(CN)C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C11H22N2O3/c1-3-9(6-12)10(14)13-7-11(15-2)4-5-16-8-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyBWCOXOPHLKBFMZ-UHFFFAOYSA-N
XLogP-0.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide 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-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide (CID 104759884) is 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide is CCC(CN)C(=O)NCC1(OC)CCOC1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The InChIKey is BWCOXOPHLKBFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-9(6-12)10(14)13-7-11(15-2)4-5-16-8-11/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide has a molecular weight of 230.31 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 104759884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).