N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide

C7H16N2O3 — CID 90248832

IUPACN-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide
SMILESCNC[C@H](O)CNC(=O)COC
InChIInChI=1S/C7H16N2O3/c1-8-3-6(10)4-9-7(11)5-12-2/h6,8,10H,3-5H2,1-2H3,(H,9,11)/t6-/m0/s1
InChIKeyRGZDOLRPPKXBJB-LURJTMIESA-N
MW176.22 g/mol
LogP-1.67
Rot. Bonds6

About N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide

N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide (PubChem CID 90248832) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide
PubChem CID90248832
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC NameN-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide
SMILESCNC[C@H](O)CNC(=O)COC
InChIInChI=1S/C7H16N2O3/c1-8-3-6(10)4-9-7(11)5-12-2/h6,8,10H,3-5H2,1-2H3,(H,9,11)/t6-/m0/s1
InChIKeyRGZDOLRPPKXBJB-LURJTMIESA-N
XLogP-1.67
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-2-methoxyacetamide
CID 90248628
3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62676002
N-(2-hydroxy-3-methoxypropyl)-2-propan-2-yloxyacetamide
CID 112703011
N-[2-(dimethylamino)-3-methylbutyl]-2-methoxyacetamide
CID 60724343
N-(2-hydroxy-2-phenylethyl)-2-methoxyacetamide
CID 60654245
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
CID 65218680
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
methyl (4R)-4-hydroxy-5-(methylamino)pentanoate
CID 129125188
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
[2-(2-hydroxypropylamino)-2-oxoethyl] acetate
CID 53418750
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide
CID 108538544
1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[[(2-methoxyacetyl)amino]methyl]benzene-1,3-dicarboxamide
CID 91224923

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide (CID 90248832) is N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide is CNC[C@H](O)CNC(=O)COC.
What is the InChIKey of N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide?
The InChIKey is RGZDOLRPPKXBJB-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O3/c1-8-3-6(10)4-9-7(11)5-12-2/h6,8,10H,3-5H2,1-2H3,(H,9,11)/t6-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide?
N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide has a molecular weight of 176.22 g/mol, XLogP of -1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide is sourced from PubChem (CID 90248832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).