2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid

C10H18N2O8 — CID 122610243

IUPAC2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid
SMILESCC(C(=O)O)C(N)C(=O)O.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/2C5H9NO4/c1-2(4(7)8)3(6)5(9)10;6-3(5(9)10)1-2-4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeySDEVUCPGHGNPRM-UHFFFAOYSA-N
MW294.26 g/mol
LogP-1.62
Rot. Bonds7

About 2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid

2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid (PubChem CID 122610243) has the molecular formula C10H18N2O8 and a molecular weight of 294.26 g/mol. Its IUPAC name is 2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid.

Molecular Properties

Compound Name2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid
PubChem CID122610243
Molecular FormulaC10H18N2O8
Molecular Weight294.26 g/mol
Exact Mass294.11
IUPAC Name2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid
SMILESCC(C(=O)O)C(N)C(=O)O.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/2C5H9NO4/c1-2(4(7)8)3(6)5(9)10;6-3(5(9)10)1-2-4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeySDEVUCPGHGNPRM-UHFFFAOYSA-N
XLogP-1.62
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.26
LogP ≤ 5-1.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid
CID 87257204
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid
CID 22856238
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
CID 87237505
CID 87237505

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid?
The IUPAC name of 2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid (CID 122610243) is 2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid.
What is the SMILES notation for 2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid?
The canonical SMILES for 2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid is CC(C(=O)O)C(N)C(=O)O.NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid?
The InChIKey is SDEVUCPGHGNPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9NO4/c1-2(4(7)8)3(6)5(9)10;6-3(5(9)10)1-2-4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10).
What are the key properties of 2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid?
2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid has a molecular weight of 294.26 g/mol, XLogP of -1.62, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid is sourced from PubChem (CID 122610243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).