2-amino-3-methylbutanedioic acid

C5H9NO4 — CID 852

IUPAC2-amino-3-methylbutanedioic acid
SMILESCC(C(=O)O)C(N)C(=O)O
InChIInChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)
InChIKeyLXRUAYBIUSUULX-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.88
Rot. Bonds3

About 2-amino-3-methylbutanedioic acid

2-amino-3-methylbutanedioic acid (PubChem CID 852) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-amino-3-methylbutanedioic acid.

Molecular Properties

Compound Name2-amino-3-methylbutanedioic acid
PubChem CID852
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-amino-3-methylbutanedioic acid
SMILESCC(C(=O)O)C(N)C(=O)O
InChIInChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)
InChIKeyLXRUAYBIUSUULX-UHFFFAOYSA-N
XLogP-0.88
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-2-methyl-4-oxo-4-sulfanylbutanoic acid
CID 87319713
(3S)-2-amino-3-sulfanylbutanoic acid
CID 118648902
2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid
CID 122610243
(2S,3S)-3-amino-4-methoxy-2-methyl-4-oxobutanoic acid
CID 91023658
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
3-amino-2,5,5-trimethyl-4-oxohexanoic acid
CID 130346585
(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
CID 71463685
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2R,3S)-2,3-diaminobutanoic acid;dihydrochloride
CID 15941603
silver 2-amino-3-methylbutanoic acid
CID 19021116
2,3-diaminobutanoic acid;hydrobromide
CID 84819421
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutanedioic acid?
The IUPAC name of 2-amino-3-methylbutanedioic acid (CID 852) is 2-amino-3-methylbutanedioic acid.
What is the SMILES notation for 2-amino-3-methylbutanedioic acid?
The canonical SMILES for 2-amino-3-methylbutanedioic acid is CC(C(=O)O)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-methylbutanedioic acid?
The InChIKey is LXRUAYBIUSUULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-amino-3-methylbutanedioic acid?
2-amino-3-methylbutanedioic acid has a molecular weight of 147.13 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanedioic acid is sourced from PubChem (CID 852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).