(2S)-2-aminopropanoic acid;3,4-dihydropyridine

C8H14N2O2 — CID 90002544

IUPAC(2S)-2-aminopropanoic acid;3,4-dihydropyridine
SMILESC1=CN=CCC1.C[C@H](N)C(=O)O
InChIInChI=1S/C5H7N.C3H7NO2/c1-2-4-6-5-3-1;1-2(4)3(5)6/h2,4-5H,1,3H2;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyWDMPUTONRZTSDA-WNQIDUERSA-N
MW170.21 g/mol
LogP0.78
Rot. Bonds1

About (2S)-2-aminopropanoic acid;3,4-dihydropyridine

(2S)-2-aminopropanoic acid;3,4-dihydropyridine (PubChem CID 90002544) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;3,4-dihydropyridine.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;3,4-dihydropyridine
PubChem CID90002544
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(2S)-2-aminopropanoic acid;3,4-dihydropyridine
SMILESC1=CN=CCC1.C[C@H](N)C(=O)O
InChIInChI=1S/C5H7N.C3H7NO2/c1-2-4-6-5-3-1;1-2(4)3(5)6/h2,4-5H,1,3H2;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyWDMPUTONRZTSDA-WNQIDUERSA-N
XLogP0.78
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
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(2R)-2-aminopropanoic acid
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2-aminopropanoic acid;benzene;iron
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CID 86589108
CID 86589108
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
(2S)-2-aminopropanoic acid;polane
CID 173022618
2-aminopropanoic acid;1,3,5-triazine
CID 174279700
(2S)-2-aminopropanoic acid;methane;palladium
CID 87359274
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;3,4-dihydropyridine?
The IUPAC name of (2S)-2-aminopropanoic acid;3,4-dihydropyridine (CID 90002544) is (2S)-2-aminopropanoic acid;3,4-dihydropyridine.
What is the SMILES notation for (2S)-2-aminopropanoic acid;3,4-dihydropyridine?
The canonical SMILES for (2S)-2-aminopropanoic acid;3,4-dihydropyridine is C1=CN=CCC1.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;3,4-dihydropyridine?
The InChIKey is WDMPUTONRZTSDA-WNQIDUERSA-N. The full InChI is InChI=1S/C5H7N.C3H7NO2/c1-2-4-6-5-3-1;1-2(4)3(5)6/h2,4-5H,1,3H2;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2S)-2-aminopropanoic acid;3,4-dihydropyridine?
(2S)-2-aminopropanoic acid;3,4-dihydropyridine has a molecular weight of 170.21 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;3,4-dihydropyridine is sourced from PubChem (CID 90002544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).