N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide

C9H18N2O3 — CID 134283041

IUPACN-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NC[C@@H]1CC[C@@H](N)CO1
InChIInChI=1S/C9H18N2O3/c1-6(12)9(13)11-4-8-3-2-7(10)5-14-8/h6-8,12H,2-5,10H2,1H3,(H,11,13)/t6?,7-,8+/m1/s1
InChIKeyOXGOEGWIQLRMEC-VVXQKDJTSA-N
MW202.25 g/mol
LogP-1.01
Rot. Bonds3

About N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide

N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide (PubChem CID 134283041) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide
PubChem CID134283041
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NC[C@@H]1CC[C@@H](N)CO1
InChIInChI=1S/C9H18N2O3/c1-6(12)9(13)11-4-8-3-2-7(10)5-14-8/h6-8,12H,2-5,10H2,1H3,(H,11,13)/t6?,7-,8+/m1/s1
InChIKeyOXGOEGWIQLRMEC-VVXQKDJTSA-N
XLogP-1.01
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride
CID 134283511
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
2-methyl-N-(oxiran-2-ylmethyl)propanamide
CID 102548474
2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide
CID 123237284
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2R)-2-hydroxy-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
CID 130643410
2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 106592649
2-[(2S,5R)-5-aminooxan-2-yl]ethanol
CID 89051551
(5-hydroxyoxan-2-yl)methylcarbamic acid
CID 138697031
5-amino-N-methyloxane-2-carboxamide
CID 77474878

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide?
The IUPAC name of N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide (CID 134283041) is N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide?
The canonical SMILES for N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide is CC(O)C(=O)NC[C@@H]1CC[C@@H](N)CO1.
What is the InChIKey of N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide?
The InChIKey is OXGOEGWIQLRMEC-VVXQKDJTSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(12)9(13)11-4-8-3-2-7(10)5-14-8/h6-8,12H,2-5,10H2,1H3,(H,11,13)/t6?,7-,8+/m1/s1.
What are the key properties of N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide?
N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide has a molecular weight of 202.25 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide is sourced from PubChem (CID 134283041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).