3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide

C9H18N2O3 — CID 106276490

IUPAC3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC1COCC1O)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-9(2,8(10)13)5-11-6-3-14-4-7(6)12/h6-7,11-12H,3-5H2,1-2H3,(H2,10,13)
InChIKeyZLKUVUSWGJRGJP-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.15
Rot. Bonds4

About 3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide

3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106276490) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide
PubChem CID106276490
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC1COCC1O)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-9(2,8(10)13)5-11-6-3-14-4-7(6)12/h6-7,11-12H,3-5H2,1-2H3,(H2,10,13)
InChIKeyZLKUVUSWGJRGJP-UHFFFAOYSA-N
XLogP-1.15
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol
CID 79552094
2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid
CID 165466451
2,2-dimethyl-3-(oxan-3-ylamino)propanamide
CID 115978805
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol
CID 106247131
3-(cyclopentylamino)-2,2-dimethylpropanamide
CID 103617377
3-[(2-methoxycyclohexyl)amino]-2,2-dimethylpropanamide
CID 106274861
3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide
CID 106274781
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
CID 80526373
2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide
CID 106276191
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide
CID 104530552
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide (CID 106276490) is 3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNC1COCC1O)C(N)=O.
What is the InChIKey of 3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is ZLKUVUSWGJRGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,8(10)13)5-11-6-3-14-4-7(6)12/h6-7,11-12H,3-5H2,1-2H3,(H2,10,13).
What are the key properties of 3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide?
3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 202.25 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106276490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).