[2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite

C7H17N2O5P — CID 144658045

IUPAC[2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite
SMILESCOP(O)OCC(CO)NC(=O)CCN
InChIInChI=1S/C7H17N2O5P/c1-13-15(12)14-5-6(4-10)9-7(11)2-3-8/h6,10,12H,2-5,8H2,1H3,(H,9,11)
InChIKeyAFRIQJHCJIOSDW-UHFFFAOYSA-N
MW240.20 g/mol
LogP-1.31
Rot. Bonds8

About [2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite

[2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite (PubChem CID 144658045) has the molecular formula C7H17N2O5P and a molecular weight of 240.20 g/mol. Its IUPAC name is [2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite.

Molecular Properties

Compound Name[2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite
PubChem CID144658045
Molecular FormulaC7H17N2O5P
Molecular Weight240.20 g/mol
Exact Mass240.09
IUPAC Name[2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite
SMILESCOP(O)OCC(CO)NC(=O)CCN
InChIInChI=1S/C7H17N2O5P/c1-13-15(12)14-5-6(4-10)9-7(11)2-3-8/h6,10,12H,2-5,8H2,1H3,(H,9,11)
InChIKeyAFRIQJHCJIOSDW-UHFFFAOYSA-N
XLogP-1.31
TPSA114.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,3-dihydroxypropan-2-ylamino)-3-oxopropyl]-methylboronamidic acid
CID 18335775
N,N'-bis(1-hydroxypropan-2-yl)propanediamide
CID 23141053
3-amino-N-(1-hydroxypropan-2-yl)propanamide
CID 43500124
N,N'-bis(1,3-dihydroxypropan-2-yl)-2,2-dimethylpropanediamide
CID 60057093
3-(2-hydroxyethylamino)-N-propan-2-ylpropanamide
CID 62623949
3-amino-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65314333
3-(1,3-dihydroxypropan-2-ylamino)-N-methylpropanamide
CID 65314568
[(2S,3S)-3-acetamido-4-hydroxybutan-2-yl]oxyphosphonamidous acid
CID 87127764
N,N'-bis[(2R)-1-hydroxypropan-2-yl]propanediamide
CID 87653999
3-(diethylamino)-N-(1-hydroxypropan-2-yl)propanamide
CID 87779545
3-[1,3-dihydroxypropan-2-yl-[3-(methylamino)-3-oxopropyl]amino]-N-methylpropanamide
CID 88970251
N,N'-bis(1,3-dihydroxypropan-2-yl)propanediamide
CID 91140393

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite?
The IUPAC name of [2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite (CID 144658045) is [2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite.
What is the SMILES notation for [2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite?
The canonical SMILES for [2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite is COP(O)OCC(CO)NC(=O)CCN.
What is the InChIKey of [2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite?
The InChIKey is AFRIQJHCJIOSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2O5P/c1-13-15(12)14-5-6(4-10)9-7(11)2-3-8/h6,10,12H,2-5,8H2,1H3,(H,9,11).
What are the key properties of [2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite?
[2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite has a molecular weight of 240.20 g/mol, XLogP of -1.31, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropanoylamino)-3-hydroxypropyl] methyl hydrogen phosphite is sourced from PubChem (CID 144658045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).