2-aminobutanedioic acid;pyridine

C9H12N2O4 — CID 174825032

IUPAC2-aminobutanedioic acid;pyridine
SMILESNC(CC(=O)O)C(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.C4H7NO4/c1-2-4-6-5-3-1;5-2(4(8)9)1-3(6)7/h1-5H;2H,1,5H2,(H,6,7)(H,8,9)
InChIKeyVPQMEMJYLQWTNY-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.05
Rot. Bonds3

About 2-aminobutanedioic acid;pyridine

2-aminobutanedioic acid;pyridine (PubChem CID 174825032) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-aminobutanedioic acid;pyridine.

Molecular Properties

Compound Name2-aminobutanedioic acid;pyridine
PubChem CID174825032
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2-aminobutanedioic acid;pyridine
SMILESNC(CC(=O)O)C(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.C4H7NO4/c1-2-4-6-5-3-1;5-2(4(8)9)1-3(6)7/h1-5H;2H,1,5H2,(H,6,7)(H,8,9)
InChIKeyVPQMEMJYLQWTNY-UHFFFAOYSA-N
XLogP-0.05
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;selane
CID 174828111
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-aminobutanedioic acid;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
CID 131864134
CID 131864134
(2R)-2-aminobutanedioic acid;zinc;hydrate
CID 156758175
2-aminobutanedioic acid;carbamic acid
CID 87364941
calcium;2-aminobutanedioic acid;hydron
CID 173271568
CID 173060561
CID 173060561

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanedioic acid;pyridine?
The IUPAC name of 2-aminobutanedioic acid;pyridine (CID 174825032) is 2-aminobutanedioic acid;pyridine.
What is the SMILES notation for 2-aminobutanedioic acid;pyridine?
The canonical SMILES for 2-aminobutanedioic acid;pyridine is NC(CC(=O)O)C(=O)O.c1ccncc1.
What is the InChIKey of 2-aminobutanedioic acid;pyridine?
The InChIKey is VPQMEMJYLQWTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H7NO4/c1-2-4-6-5-3-1;5-2(4(8)9)1-3(6)7/h1-5H;2H,1,5H2,(H,6,7)(H,8,9).
What are the key properties of 2-aminobutanedioic acid;pyridine?
2-aminobutanedioic acid;pyridine has a molecular weight of 212.21 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanedioic acid;pyridine is sourced from PubChem (CID 174825032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).