3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide

C7H16N2O4 — CID 106170441

IUPAC3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide
SMILESCOC(CNCC(O)C(N)=O)OC
InChIInChI=1S/C7H16N2O4/c1-12-6(13-2)4-9-3-5(10)7(8)11/h5-6,9-10H,3-4H2,1-2H3,(H2,8,11)
InChIKeyCTPRFFJQFZISFU-UHFFFAOYSA-N
MW192.22 g/mol
LogP-1.96
Rot. Bonds7

About 3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide

3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide (PubChem CID 106170441) has the molecular formula C7H16N2O4 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide
PubChem CID106170441
Molecular FormulaC7H16N2O4
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide
SMILESCOC(CNCC(O)C(N)=O)OC
InChIInChI=1S/C7H16N2O4/c1-12-6(13-2)4-9-3-5(10)7(8)11/h5-6,9-10H,3-4H2,1-2H3,(H2,8,11)
InChIKeyCTPRFFJQFZISFU-UHFFFAOYSA-N
XLogP-1.96
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-diethoxyethylamino)-2-hydroxypropanamide
CID 106174370
2-hydroxy-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106174936
2-hydroxy-3-(2-methoxyethylamino)propanamide
CID 106174482
3-(2,2-dimethoxyethylamino)propane-1,2-diol
CID 60650308
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-hydroxypropanamide
CID 106174560
4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid
CID 106178077
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174317
3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide
CID 106174934
3-(cyclopentylmethylamino)-2-hydroxypropanamide
CID 106171619
2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide
CID 106170747
3-(cycloheptylmethylamino)-2-hydroxypropanamide
CID 106170462

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide (CID 106170441) is 3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide is COC(CNCC(O)C(N)=O)OC.
What is the InChIKey of 3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide?
The InChIKey is CTPRFFJQFZISFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4/c1-12-6(13-2)4-9-3-5(10)7(8)11/h5-6,9-10H,3-4H2,1-2H3,(H2,8,11).
What are the key properties of 3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide?
3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide has a molecular weight of 192.22 g/mol, XLogP of -1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106170441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).