3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide

C9H16N2O3 — CID 106171617

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC1CCC=CO1
InChIInChI=1S/C9H16N2O3/c10-9(13)8(12)6-11-5-7-3-1-2-4-14-7/h2,4,7-8,11-12H,1,3,5-6H2,(H2,10,13)
InChIKeyXUSYLWFMOIXGCL-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.89
Rot. Bonds5

About 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide

3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide (PubChem CID 106171617) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide
PubChem CID106171617
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC1CCC=CO1
InChIInChI=1S/C9H16N2O3/c10-9(13)8(12)6-11-5-7-3-1-2-4-14-7/h2,4,7-8,11-12H,1,3,5-6H2,(H2,10,13)
InChIKeyXUSYLWFMOIXGCL-UHFFFAOYSA-N
XLogP-0.89
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
CID 62064241
4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide
CID 62064413
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
CID 62064941
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
CID 62065091
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylpropanamide
CID 62065110
N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
CID 62065283
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
CID 62066714
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide
CID 103096927
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylpropanamide
CID 104417957
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 104418152
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-(2-methylpropyl)propanamide
CID 104418922
3-(Hex-5-en-2-ylamino)-2-hydroxypropanamide
CID 106170339

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide (CID 106171617) is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide is NC(=O)C(O)CNCC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide?
The InChIKey is XUSYLWFMOIXGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-9(13)8(12)6-11-5-7-3-1-2-4-14-7/h2,4,7-8,11-12H,1,3,5-6H2,(H2,10,13).
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide?
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide has a molecular weight of 200.24 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106171617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).