2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid

C12H25N3O8 — CID 22856238

IUPAC2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid
SMILESCC(C)[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C5H11NO2.C2H5NO2/c6-3(5(9)10)1-2-4(7)8;1-3(2)4(6)5(7)8;3-1-2(4)5/h3H,1-2,6H2,(H,7,8)(H,9,10);3-4H,6H2,1-2H3,(H,7,8);1,3H2,(H,4,5)/t3-;4-;/m00./s1
InChIKeyBGUPSHYNPPLEEJ-ILCMOUOISA-N
MW339.35 g/mol
LogP-1.65
Rot. Bonds7

About 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid

2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid (PubChem CID 22856238) has the molecular formula C12H25N3O8 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid
PubChem CID22856238
Molecular FormulaC12H25N3O8
Molecular Weight339.35 g/mol
Exact Mass339.16
IUPAC Name2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid
SMILESCC(C)[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C5H11NO2.C2H5NO2/c6-3(5(9)10)1-2-4(7)8;1-3(2)4(6)5(7)8;3-1-2(4)5/h3H,1-2,6H2,(H,7,8)(H,9,10);3-4H,6H2,1-2H3,(H,7,8);1,3H2,(H,4,5)/t3-;4-;/m00./s1
InChIKeyBGUPSHYNPPLEEJ-ILCMOUOISA-N
XLogP-1.65
TPSA227.26 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.35
LogP ≤ 5-1.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid
CID 174800417
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride
CID 159922331
2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid
CID 122610243
2-amino-3-methylbutanoic acid;butanedioic acid
CID 87123130
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-2-aminopentanedioic acid;(2S)-2-aminopropanoic acid
CID 173152121
2-aminoacetic acid;2-aminobutanedioic acid;2-aminopentanedioic acid
CID 88786935
2-aminoacetamide;(2S)-2-aminopentanedioic acid
CID 88807329
(2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid
CID 87257204
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid?
The IUPAC name of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid (CID 22856238) is 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid is CC(C)[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid?
The InChIKey is BGUPSHYNPPLEEJ-ILCMOUOISA-N. The full InChI is InChI=1S/C5H9NO4.C5H11NO2.C2H5NO2/c6-3(5(9)10)1-2-4(7)8;1-3(2)4(6)5(7)8;3-1-2(4)5/h3H,1-2,6H2,(H,7,8)(H,9,10);3-4H,6H2,1-2H3,(H,7,8);1,3H2,(H,4,5)/t3-;4-;/m00./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid?
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid has a molecular weight of 339.35 g/mol, XLogP of -1.65, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid is sourced from PubChem (CID 22856238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).