bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)

C12H24N4O12 — CID 174810745

IUPACbis(2-aminoacetic acid);bis(2-aminobutanedioic acid)
SMILESNC(CC(=O)O)C(=O)O.NC(CC(=O)O)C(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/2C4H7NO4.2C2H5NO2/c2*5-2(4(8)9)1-3(6)7;2*3-1-2(4)5/h2*2H,1,5H2,(H,6,7)(H,8,9);2*1,3H2,(H,4,5)
InChIKeyDQWGLIPFZCDOHY-UHFFFAOYSA-N
MW416.34 g/mol
LogP-4.19
Rot. Bonds8

About bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)

bis(2-aminoacetic acid);bis(2-aminobutanedioic acid) (PubChem CID 174810745) has the molecular formula C12H24N4O12 and a molecular weight of 416.34 g/mol. Its IUPAC name is bis(2-aminoacetic acid);bis(2-aminobutanedioic acid).

Molecular Properties

Compound Namebis(2-aminoacetic acid);bis(2-aminobutanedioic acid)
PubChem CID174810745
Molecular FormulaC12H24N4O12
Molecular Weight416.34 g/mol
Exact Mass416.14
IUPAC Namebis(2-aminoacetic acid);bis(2-aminobutanedioic acid)
SMILESNC(CC(=O)O)C(=O)O.NC(CC(=O)O)C(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/2C4H7NO4.2C2H5NO2/c2*5-2(4(8)9)1-3(6)7;2*3-1-2(4)5/h2*2H,1,5H2,(H,6,7)(H,8,9);2*1,3H2,(H,4,5)
InChIKeyDQWGLIPFZCDOHY-UHFFFAOYSA-N
XLogP-4.19
TPSA327.88 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.34
LogP ≤ 5-4.19
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

2-aminoacetic acid;2-aminobutanedioic acid
CID 18761839
2-aminobutanedioic acid;selane
CID 174828111
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
CID 131864134
CID 131864134
2-aminoacetic acid;2-aminobutanedioic acid;2-aminopentanedioic acid
CID 88786935
strontium;2-aminobutanedioic acid;hydride
CID 174538201
2-aminobutanedioic acid;carbamic acid
CID 87364941

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)?
The IUPAC name of bis(2-aminoacetic acid);bis(2-aminobutanedioic acid) (CID 174810745) is bis(2-aminoacetic acid);bis(2-aminobutanedioic acid).
What is the SMILES notation for bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)?
The canonical SMILES for bis(2-aminoacetic acid);bis(2-aminobutanedioic acid) is NC(CC(=O)O)C(=O)O.NC(CC(=O)O)C(=O)O.NCC(=O)O.NCC(=O)O.
What is the InChIKey of bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)?
The InChIKey is DQWGLIPFZCDOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7NO4.2C2H5NO2/c2*5-2(4(8)9)1-3(6)7;2*3-1-2(4)5/h2*2H,1,5H2,(H,6,7)(H,8,9);2*1,3H2,(H,4,5).
What are the key properties of bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)?
bis(2-aminoacetic acid);bis(2-aminobutanedioic acid) has a molecular weight of 416.34 g/mol, XLogP of -4.19, 8 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoacetic acid);bis(2-aminobutanedioic acid) is sourced from PubChem (CID 174810745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).