2-amino-3-methylbutanoic acid;butanedioic acid

C9H17NO6 — CID 87123130

IUPAC2-amino-3-methylbutanoic acid;butanedioic acid
SMILESCC(C)C(N)C(=O)O.O=C(O)CCC(=O)O
InChIInChI=1S/C5H11NO2.C4H6O4/c1-3(2)4(6)5(7)8;5-3(6)1-2-4(7)8/h3-4H,6H2,1-2H3,(H,7,8);1-2H2,(H,5,6)(H,7,8)
InChIKeyILLDYDWDMHAKTD-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.01
Rot. Bonds5

About 2-amino-3-methylbutanoic acid;butanedioic acid

2-amino-3-methylbutanoic acid;butanedioic acid (PubChem CID 87123130) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-amino-3-methylbutanoic acid;butanedioic acid.

Molecular Properties

Compound Name2-amino-3-methylbutanoic acid;butanedioic acid
PubChem CID87123130
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Name2-amino-3-methylbutanoic acid;butanedioic acid
SMILESCC(C)C(N)C(=O)O.O=C(O)CCC(=O)O
InChIInChI=1S/C5H11NO2.C4H6O4/c1-3(2)4(6)5(7)8;5-3(6)1-2-4(7)8/h3-4H,6H2,1-2H3,(H,7,8);1-2H2,(H,5,6)(H,7,8)
InChIKeyILLDYDWDMHAKTD-UHFFFAOYSA-N
XLogP-0.01
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87497053
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride
CID 159922331
(2S)-2-amino-3-methylbutanoic acid;butanoic acid;pentanoic acid
CID 88670976
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid
CID 22856238
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutanoic acid;butanedioic acid?
The IUPAC name of 2-amino-3-methylbutanoic acid;butanedioic acid (CID 87123130) is 2-amino-3-methylbutanoic acid;butanedioic acid.
What is the SMILES notation for 2-amino-3-methylbutanoic acid;butanedioic acid?
The canonical SMILES for 2-amino-3-methylbutanoic acid;butanedioic acid is CC(C)C(N)C(=O)O.O=C(O)CCC(=O)O.
What is the InChIKey of 2-amino-3-methylbutanoic acid;butanedioic acid?
The InChIKey is ILLDYDWDMHAKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H6O4/c1-3(2)4(6)5(7)8;5-3(6)1-2-4(7)8/h3-4H,6H2,1-2H3,(H,7,8);1-2H2,(H,5,6)(H,7,8).
What are the key properties of 2-amino-3-methylbutanoic acid;butanedioic acid?
2-amino-3-methylbutanoic acid;butanedioic acid has a molecular weight of 235.24 g/mol, XLogP of -0.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanoic acid;butanedioic acid is sourced from PubChem (CID 87123130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).