2-aminoacetic acid;azane;2-chloroacetic acid

C4H11ClN2O4 — CID 174899372

IUPAC2-aminoacetic acid;azane;2-chloroacetic acid
SMILESN.NCC(=O)O.O=C(O)CCl
InChIInChI=1S/C2H3ClO2.C2H5NO2.H3N/c2*3-1-2(4)5;/h1H2,(H,4,5);1,3H2,(H,4,5);1H3
InChIKeyFUFUTGPLUKOBMR-UHFFFAOYSA-N
MW186.59 g/mol
LogP-0.50
Rot. Bonds2

About 2-aminoacetic acid;azane;2-chloroacetic acid

2-aminoacetic acid;azane;2-chloroacetic acid (PubChem CID 174899372) has the molecular formula C4H11ClN2O4 and a molecular weight of 186.59 g/mol. Its IUPAC name is 2-aminoacetic acid;azane;2-chloroacetic acid.

Molecular Properties

Compound Name2-aminoacetic acid;azane;2-chloroacetic acid
PubChem CID174899372
Molecular FormulaC4H11ClN2O4
Molecular Weight186.59 g/mol
Exact Mass186.04
IUPAC Name2-aminoacetic acid;azane;2-chloroacetic acid
SMILESN.NCC(=O)O.O=C(O)CCl
InChIInChI=1S/C2H3ClO2.C2H5NO2.H3N/c2*3-1-2(4)5;/h1H2,(H,4,5);1,3H2,(H,4,5);1H3
InChIKeyFUFUTGPLUKOBMR-UHFFFAOYSA-N
XLogP-0.50
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetic acid;azane;ethene
CID 174860038
2-aminoacetic acid;cadmium
CID 87269769
bis(2-aminoacetic acid);copper
CID 50912486
2-chloroacetic acid;silver
CID 87585147
(2-aminoacetic acid);carbonic acid
CID 173312624
nonaheptacontasodium;nonakis(2-chloroacetic acid)
CID 173182170
tris(2-aminoethanol);2-chloroacetic acid
CID 22995154
acetic acid;2-aminoacetic acid;azane
CID 175048501
bis(2-aminoacetic acid);dichloromanganese
CID 169438191
bis(2-aminoacetic acid);dichloroplatinum
CID 15494954
2-aminoacetic acid;chloroaluminum(2+);dihydroxide
CID 174411996
2-aminoacetic acid;barium(2+);hydride
CID 173122001

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;azane;2-chloroacetic acid?
The IUPAC name of 2-aminoacetic acid;azane;2-chloroacetic acid (CID 174899372) is 2-aminoacetic acid;azane;2-chloroacetic acid.
What is the SMILES notation for 2-aminoacetic acid;azane;2-chloroacetic acid?
The canonical SMILES for 2-aminoacetic acid;azane;2-chloroacetic acid is N.NCC(=O)O.O=C(O)CCl.
What is the InChIKey of 2-aminoacetic acid;azane;2-chloroacetic acid?
The InChIKey is FUFUTGPLUKOBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO2.C2H5NO2.H3N/c2*3-1-2(4)5;/h1H2,(H,4,5);1,3H2,(H,4,5);1H3.
What are the key properties of 2-aminoacetic acid;azane;2-chloroacetic acid?
2-aminoacetic acid;azane;2-chloroacetic acid has a molecular weight of 186.59 g/mol, XLogP of -0.50, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;azane;2-chloroacetic acid is sourced from PubChem (CID 174899372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).