2-aminoacetic acid;2-aminoacetonitrile

C4H9N3O2 — CID 174809835

IUPAC2-aminoacetic acid;2-aminoacetonitrile
SMILESN#CCN.NCC(=O)O
InChIInChI=1S/C2H4N2.C2H5NO2/c3-1-2-4;3-1-2(4)5/h1,3H2;1,3H2,(H,4,5)
InChIKeyIQHLUGCPXRFLDG-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.50
Rot. Bonds1

About 2-aminoacetic acid;2-aminoacetonitrile

2-aminoacetic acid;2-aminoacetonitrile (PubChem CID 174809835) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-aminoacetic acid;2-aminoacetonitrile.

Molecular Properties

Compound Name2-aminoacetic acid;2-aminoacetonitrile
PubChem CID174809835
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name2-aminoacetic acid;2-aminoacetonitrile
SMILESN#CCN.NCC(=O)O
InChIInChI=1S/C2H4N2.C2H5NO2/c3-1-2-4;3-1-2(4)5/h1,3H2;1,3H2,(H,4,5)
InChIKeyIQHLUGCPXRFLDG-UHFFFAOYSA-N
XLogP-1.50
TPSA113.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-aminoacetic acid);copper
CID 50912486
CID 174491455
CID 174491455
CID 174298851
CID 174298851
2-aminoacetic acid;cadmium
CID 87269769
(2-aminoacetic acid);carbonic acid
CID 173312624
2-aminoacetic acid;iron;nickel
CID 175589238
sodium;2-aminoacetic acid;bromide
CID 174820906
2-aminoacetic acid;molecular hydrogen
CID 173030336
2-aminoacetic acid;oxocopper
CID 158791680
tetraazanium;zinc;bis(2-aminoacetic acid)
CID 72715319
2-aminoacetic acid;methane;hydrochloride
CID 174614167
2-aminoacetic acid;barium(2+);hydride
CID 173122001

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-aminoacetonitrile?
The IUPAC name of 2-aminoacetic acid;2-aminoacetonitrile (CID 174809835) is 2-aminoacetic acid;2-aminoacetonitrile.
What is the SMILES notation for 2-aminoacetic acid;2-aminoacetonitrile?
The canonical SMILES for 2-aminoacetic acid;2-aminoacetonitrile is N#CCN.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-aminoacetonitrile?
The InChIKey is IQHLUGCPXRFLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2.C2H5NO2/c3-1-2-4;3-1-2(4)5/h1,3H2;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-aminoacetonitrile?
2-aminoacetic acid;2-aminoacetonitrile has a molecular weight of 131.13 g/mol, XLogP of -1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-aminoacetonitrile is sourced from PubChem (CID 174809835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).