3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide

C10H20N2O3 — CID 106297544

IUPAC3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide
SMILESCC(CNC1(CO)CCOCC1)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-8(9(11)14)6-12-10(7-13)2-4-15-5-3-10/h8,12-13H,2-7H2,1H3,(H2,11,14)
InChIKeyQMQJBIUUZKHFST-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.76
Rot. Bonds5

About 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide

3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide (PubChem CID 106297544) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide
PubChem CID106297544
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide
SMILESCC(CNC1(CO)CCOCC1)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-8(9(11)14)6-12-10(7-13)2-4-15-5-3-10/h8,12-13H,2-7H2,1H3,(H2,11,14)
InChIKeyQMQJBIUUZKHFST-UHFFFAOYSA-N
XLogP-0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
CID 106297841
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
CID 103878575
ethyl 3-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanoate
CID 106300343
3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
CID 62520820
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide
CID 113233848
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide
CID 106298860
[4-(3-aminopropylamino)oxan-4-yl]methanol
CID 106297046
methyl 3-[[4-(hydroxymethyl)oxan-4-yl]amino]butanoate
CID 103952283
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide
CID 104630382

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide?
The IUPAC name of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide (CID 106297544) is 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide.
What is the SMILES notation for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide?
The canonical SMILES for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide is CC(CNC1(CO)CCOCC1)C(N)=O.
What is the InChIKey of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide?
The InChIKey is QMQJBIUUZKHFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(9(11)14)6-12-10(7-13)2-4-15-5-3-10/h8,12-13H,2-7H2,1H3,(H2,11,14).
What are the key properties of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide?
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide has a molecular weight of 216.28 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide is sourced from PubChem (CID 106297544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).