N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate

C7H18N2O5 — CID 172994049

IUPACN-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate
SMILESCC(=O)NC[C@H](N)OC(CO)CO.O
InChIInChI=1S/C7H16N2O4.H2O/c1-5(12)9-2-7(8)13-6(3-10)4-11;/h6-7,10-11H,2-4,8H2,1H3,(H,9,12);1H2/t7-;/m1./s1
InChIKeyMSGNPLYFKUXGQH-OGFXRTJISA-N
MW210.23 g/mol
LogP-3.05
Rot. Bonds6

About N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate

N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate (PubChem CID 172994049) has the molecular formula C7H18N2O5 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate.

Molecular Properties

Compound NameN-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate
PubChem CID172994049
Molecular FormulaC7H18N2O5
Molecular Weight210.23 g/mol
Exact Mass210.12
IUPAC NameN-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate
SMILESCC(=O)NC[C@H](N)OC(CO)CO.O
InChIInChI=1S/C7H16N2O4.H2O/c1-5(12)9-2-7(8)13-6(3-10)4-11;/h6-7,10-11H,2-4,8H2,1H3,(H,9,12);1H2/t7-;/m1./s1
InChIKeyMSGNPLYFKUXGQH-OGFXRTJISA-N
XLogP-3.05
TPSA136.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-3.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate?
The IUPAC name of N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate (CID 172994049) is N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate.
What is the SMILES notation for N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate?
The canonical SMILES for N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate is CC(=O)NC[C@H](N)OC(CO)CO.O.
What is the InChIKey of N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate?
The InChIKey is MSGNPLYFKUXGQH-OGFXRTJISA-N. The full InChI is InChI=1S/C7H16N2O4.H2O/c1-5(12)9-2-7(8)13-6(3-10)4-11;/h6-7,10-11H,2-4,8H2,1H3,(H,9,12);1H2/t7-;/m1./s1.
What are the key properties of N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate?
N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate has a molecular weight of 210.23 g/mol, XLogP of -3.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate is sourced from PubChem (CID 172994049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).