2-aminoacetic acid;bis((2S)-2-aminopropanoic acid)

C8H19N3O6 — CID 22820962

IUPAC2-aminoacetic acid;bis((2S)-2-aminopropanoic acid)
SMILESC[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O
InChIInChI=1S/2C3H7NO2.C2H5NO2/c2*1-2(4)3(5)6;3-1-2(4)5/h2*2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t2*2-;/m00./s1
InChIKeyWNOGBYBRVMFEJJ-CEOVSRFSSA-N
MW253.25 g/mol
LogP-2.13
Rot. Bonds3

About 2-aminoacetic acid;bis((2S)-2-aminopropanoic acid)

2-aminoacetic acid;bis((2S)-2-aminopropanoic acid) (PubChem CID 22820962) has the molecular formula C8H19N3O6 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-aminoacetic acid;bis((2S)-2-aminopropanoic acid).

Molecular Properties

Compound Name2-aminoacetic acid;bis((2S)-2-aminopropanoic acid)
PubChem CID22820962
Molecular FormulaC8H19N3O6
Molecular Weight253.25 g/mol
Exact Mass253.13
IUPAC Name2-aminoacetic acid;bis((2S)-2-aminopropanoic acid)
SMILESC[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O
InChIInChI=1S/2C3H7NO2.C2H5NO2/c2*1-2(4)3(5)6;3-1-2(4)5/h2*2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t2*2-;/m00./s1
InChIKeyWNOGBYBRVMFEJJ-CEOVSRFSSA-N
XLogP-2.13
TPSA189.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.25
LogP ≤ 5-2.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;bis((2S)-2-aminopropanoic acid)?
The IUPAC name of 2-aminoacetic acid;bis((2S)-2-aminopropanoic acid) (CID 22820962) is 2-aminoacetic acid;bis((2S)-2-aminopropanoic acid).
What is the SMILES notation for 2-aminoacetic acid;bis((2S)-2-aminopropanoic acid)?
The canonical SMILES for 2-aminoacetic acid;bis((2S)-2-aminopropanoic acid) is C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;bis((2S)-2-aminopropanoic acid)?
The InChIKey is WNOGBYBRVMFEJJ-CEOVSRFSSA-N. The full InChI is InChI=1S/2C3H7NO2.C2H5NO2/c2*1-2(4)3(5)6;3-1-2(4)5/h2*2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t2*2-;/m00./s1.
What are the key properties of 2-aminoacetic acid;bis((2S)-2-aminopropanoic acid)?
2-aminoacetic acid;bis((2S)-2-aminopropanoic acid) has a molecular weight of 253.25 g/mol, XLogP of -2.13, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;bis((2S)-2-aminopropanoic acid) is sourced from PubChem (CID 22820962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).