3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide

C11H22N2O3 — CID 106101650

IUPAC3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCC1OCCC1(O)CNC(=O)C(C)(C)CN
InChIInChI=1S/C11H22N2O3/c1-8-11(15,4-5-16-8)7-13-9(14)10(2,3)6-12/h8,15H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyXYVNTTLYGIYMAC-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.37
Rot. Bonds4

About 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide

3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 106101650) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
PubChem CID106101650
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCC1OCCC1(O)CNC(=O)C(C)(C)CN
InChIInChI=1S/C11H22N2O3/c1-8-11(15,4-5-16-8)7-13-9(14)10(2,3)6-12/h8,15H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyXYVNTTLYGIYMAC-UHFFFAOYSA-N
XLogP-0.37
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 114143734
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101649
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 106101785
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
CID 106102911
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide
CID 106101560
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
2-[1-(aminomethyl)cyclobutyl]-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 114143583
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
CID 107302161

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide (CID 106101650) is 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide is CC1OCCC1(O)CNC(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is XYVNTTLYGIYMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8-11(15,4-5-16-8)7-13-9(14)10(2,3)6-12/h8,15H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide?
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 230.31 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 106101650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).