acetonitrile;azane;3-hydroxypropanoic acid

C5H12N2O3 — CID 173223409

IUPACacetonitrile;azane;3-hydroxypropanoic acid
SMILESCC#N.N.O=C(O)CCO
InChIInChI=1S/C3H6O3.C2H3N.H3N/c4-2-1-3(5)6;1-2-3;/h4H,1-2H2,(H,5,6);1H3;1H3
InChIKeyNDOLXTUTQBSKPM-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.15
Rot. Bonds2

About acetonitrile;azane;3-hydroxypropanoic acid

acetonitrile;azane;3-hydroxypropanoic acid (PubChem CID 173223409) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is acetonitrile;azane;3-hydroxypropanoic acid.

Molecular Properties

Compound Nameacetonitrile;azane;3-hydroxypropanoic acid
PubChem CID173223409
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Nameacetonitrile;azane;3-hydroxypropanoic acid
SMILESCC#N.N.O=C(O)CCO
InChIInChI=1S/C3H6O3.C2H3N.H3N/c4-2-1-3(5)6;1-2-3;/h4H,1-2H2,(H,5,6);1H3;1H3
InChIKeyNDOLXTUTQBSKPM-UHFFFAOYSA-N
XLogP0.15
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

bismuthane;3-hydroxypropanoic acid
CID 173193859
butane;3-hydroxypropanoic acid
CID 87992662
bis(3-hydroxypropanoic acid);oxotitanium
CID 58999446
butanoic acid;3-hydroxypropanoic acid
CID 87339228
dichloromethane;3-hydroxypropanoic acid
CID 87483179
butanedioic acid;oxalonitrile
CID 175322559
acetonitrile;azane;carbonic acid;methanol
CID 174612682
azane;butanedioic acid;dihydrate
CID 141112137
acetonitrile;azane;formyl 3-hydroxypropanoate
CID 175171537
azane;butanedioic acid;ethanol
CID 87975822
acetonitrile;ethyl 3-hydroxypropanoate
CID 22990060
2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid
CID 87631313

Frequently Asked Questions

What is the IUPAC name of acetonitrile;azane;3-hydroxypropanoic acid?
The IUPAC name of acetonitrile;azane;3-hydroxypropanoic acid (CID 173223409) is acetonitrile;azane;3-hydroxypropanoic acid.
What is the SMILES notation for acetonitrile;azane;3-hydroxypropanoic acid?
The canonical SMILES for acetonitrile;azane;3-hydroxypropanoic acid is CC#N.N.O=C(O)CCO.
What is the InChIKey of acetonitrile;azane;3-hydroxypropanoic acid?
The InChIKey is NDOLXTUTQBSKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C2H3N.H3N/c4-2-1-3(5)6;1-2-3;/h4H,1-2H2,(H,5,6);1H3;1H3.
What are the key properties of acetonitrile;azane;3-hydroxypropanoic acid?
acetonitrile;azane;3-hydroxypropanoic acid has a molecular weight of 148.16 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;azane;3-hydroxypropanoic acid is sourced from PubChem (CID 173223409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).