(2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine

C14H21N3O4 — CID 51039475

IUPAC(2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1cccnc1.N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C10H14N2.C4H7NO4/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-2(4(8)9)1-3(6)7/h2,4,6,8,10H,3,5,7H2,1H3;2H,1,5H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
InChIKeyOHRLTOYKVGYZNF-WNQIDUERSA-N
MW295.34 g/mol
LogP0.72
Rot. Bonds4

About (2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine

(2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine (PubChem CID 51039475) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name(2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine
PubChem CID51039475
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1cccnc1.N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C10H14N2.C4H7NO4/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-2(4(8)9)1-3(6)7/h2,4,6,8,10H,3,5,7H2,1H3;2H,1,5H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
InChIKeyOHRLTOYKVGYZNF-WNQIDUERSA-N
XLogP0.72
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-aminopropane-1,1,3-tricarboxylic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 159072070
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
2,3-dihydroxybutanedioic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 6708476
hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 137374704
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
bis((E)-but-2-enedioic acid);bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783487
2,3-dihydroxybutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine;4-oxopentanoic acid
CID 66766245
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine?
The IUPAC name of (2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine (CID 51039475) is (2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for (2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine?
The canonical SMILES for (2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine is CN1CCCC1c1cccnc1.N[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine?
The InChIKey is OHRLTOYKVGYZNF-WNQIDUERSA-N. The full InChI is InChI=1S/C10H14N2.C4H7NO4/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-2(4(8)9)1-3(6)7/h2,4,6,8,10H,3,5,7H2,1H3;2H,1,5H2,(H,6,7)(H,8,9)/t;2-/m.0/s1.
What are the key properties of (2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine?
(2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine has a molecular weight of 295.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 51039475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).