4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide

C11H22N2O4 — CID 106101560

IUPAC4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC1(O)CCOC1C
InChIInChI=1S/C11H22N2O4/c1-8-11(15,3-4-17-8)7-13-10(14)5-9(6-12)16-2/h8-9,15H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyDXQGPTKPMSUKBA-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.99
Rot. Bonds6

About 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide

4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide (PubChem CID 106101560) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide
PubChem CID106101560
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC1(O)CCOC1C
InChIInChI=1S/C11H22N2O4/c1-8-11(15,3-4-17-8)7-13-10(14)5-9(6-12)16-2/h8-9,15H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyDXQGPTKPMSUKBA-UHFFFAOYSA-N
XLogP-0.99
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide
CID 106101613
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide
CID 114143597
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 106101650
2-[1-(aminomethyl)cyclobutyl]-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 114143583
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 107301847
2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301867
methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate
CID 106101091
4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 107302079

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide (CID 106101560) is 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide is COC(CN)CC(=O)NCC1(O)CCOC1C.
What is the InChIKey of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide?
The InChIKey is DXQGPTKPMSUKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-8-11(15,3-4-17-8)7-13-10(14)5-9(6-12)16-2/h8-9,15H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide?
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide has a molecular weight of 246.31 g/mol, XLogP of -0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide is sourced from PubChem (CID 106101560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).