(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)

C10H21N3O10 — CID 162130490

IUPAC(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
SMILESN[C@@H](CC(=O)O)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CO)C(=O)O
InChIInChI=1S/C4H7NO4.2C3H7NO3/c5-2(4(8)9)1-3(6)7;2*4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)(H,8,9);2*2,5H,1,4H2,(H,6,7)/t3*2-/m000/s1
InChIKeyZIPFBKRFIGPTKY-NYIJDJKZSA-N
MW343.29 g/mol
LogP-4.35
Rot. Bonds7

About (2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)

(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid) (PubChem CID 162130490) has the molecular formula C10H21N3O10 and a molecular weight of 343.29 g/mol. Its IUPAC name is (2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid).

Molecular Properties

Compound Name(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
PubChem CID162130490
Molecular FormulaC10H21N3O10
Molecular Weight343.29 g/mol
Exact Mass343.12
IUPAC Name(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
SMILESN[C@@H](CC(=O)O)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CO)C(=O)O
InChIInChI=1S/C4H7NO4.2C3H7NO3/c5-2(4(8)9)1-3(6)7;2*4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)(H,8,9);2*2,5H,1,4H2,(H,6,7)/t3*2-/m000/s1
InChIKeyZIPFBKRFIGPTKY-NYIJDJKZSA-N
XLogP-4.35
TPSA267.72 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.29
LogP ≤ 5-4.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-2-aminobutanedioic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);(2S)-2-aminopropanoic acid
CID 173370164
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;selane
CID 174828111
2-aminobutanedioic acid;molybdenum
CID 76550864
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
CID 131864134
CID 131864134
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
(2R)-2-aminobutanedioic acid;zinc;hydrate
CID 156758175
2-aminobutanedioic acid;carbamic acid
CID 87364941

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)?
The IUPAC name of (2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid) (CID 162130490) is (2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid).
What is the SMILES notation for (2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)?
The canonical SMILES for (2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid) is N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)?
The InChIKey is ZIPFBKRFIGPTKY-NYIJDJKZSA-N. The full InChI is InChI=1S/C4H7NO4.2C3H7NO3/c5-2(4(8)9)1-3(6)7;2*4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)(H,8,9);2*2,5H,1,4H2,(H,6,7)/t3*2-/m000/s1.
What are the key properties of (2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)?
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid) has a molecular weight of 343.29 g/mol, XLogP of -4.35, 7 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid) is sourced from PubChem (CID 162130490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).