bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid

C10H24N4O9S — CID 158988010

IUPACbis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
SMILESNCC(=O)O.NCC(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CS)C(=O)O
InChIInChI=1S/C3H7NO3.C3H7NO2S.2C2H5NO2/c4-2(1-5)3(6)7;4-2(1-7)3(5)6;2*3-1-2(4)5/h2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6);2*1,3H2,(H,4,5)/t2*2-;;/m00../s1
InChIKeyJPUTXVYZGCAUNM-NVKWYWNSSA-N
MW376.39 g/mol
LogP-4.22
Rot. Bonds6

About bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid

bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid (PubChem CID 158988010) has the molecular formula C10H24N4O9S and a molecular weight of 376.39 g/mol. Its IUPAC name is bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid.

Molecular Properties

Compound Namebis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
PubChem CID158988010
Molecular FormulaC10H24N4O9S
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Namebis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
SMILESNCC(=O)O.NCC(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CS)C(=O)O
InChIInChI=1S/C3H7NO3.C3H7NO2S.2C2H5NO2/c4-2(1-5)3(6)7;4-2(1-7)3(5)6;2*3-1-2(4)5/h2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6);2*1,3H2,(H,4,5)/t2*2-;;/m00../s1
InChIKeyJPUTXVYZGCAUNM-NVKWYWNSSA-N
XLogP-4.22
TPSA273.51 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.39
LogP ≤ 5-4.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
2-amino-3-sulfanylpropanoic acid
CID 21459566
CID 87623250
CID 87623250
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
2-amino-3-sulfanylpropanoic acid;hydrofluoride
CID 174867150
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87699670

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?
The IUPAC name of bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid (CID 158988010) is bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid.
What is the SMILES notation for bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?
The canonical SMILES for bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid is NCC(=O)O.NCC(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CS)C(=O)O.
What is the InChIKey of bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?
The InChIKey is JPUTXVYZGCAUNM-NVKWYWNSSA-N. The full InChI is InChI=1S/C3H7NO3.C3H7NO2S.2C2H5NO2/c4-2(1-5)3(6)7;4-2(1-7)3(5)6;2*3-1-2(4)5/h2,5H,1,4H2,(H,6,7);2,7H,1,4H2,(H,5,6);2*1,3H2,(H,4,5)/t2*2-;;/m00../s1.
What are the key properties of bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid?
bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid has a molecular weight of 376.39 g/mol, XLogP of -4.22, 6 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoacetic acid);(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid is sourced from PubChem (CID 158988010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).