(2S)-2-(methylazaniumyl)propanoate

C4H9NO2 — CID 6971259

IUPAC(2S)-2-(methylazaniumyl)propanoate
SMILESC[NH2+][C@@H](C)C(=O)[O-]
InChIInChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
InChIKeyGDFAOVXKHJXLEI-VKHMYHEASA-N
MW103.12 g/mol
LogP-2.68
Rot. Bonds2

About (2S)-2-(methylazaniumyl)propanoate

(2S)-2-(methylazaniumyl)propanoate (PubChem CID 6971259) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is (2S)-2-(methylazaniumyl)propanoate.

Molecular Properties

Compound Name(2S)-2-(methylazaniumyl)propanoate
PubChem CID6971259
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(2S)-2-(methylazaniumyl)propanoate
SMILESC[NH2+][C@@H](C)C(=O)[O-]
InChIInChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
InChIKeyGDFAOVXKHJXLEI-VKHMYHEASA-N
XLogP-2.68
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-2.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

calcium bis(2-methylpropanoate)
CID 102602609
barium(2+);bis(2-methylpropanoate)
CID 23219604
tris(2-methylpropanoate);thallium(3+)
CID 173444614
dilithium bis(2-methylpropanoate)
CID 86626069
(2R,3R)-2,3-dimethylbutanedioate
CID 6950213
dilithium;2-methylpropanedioate
CID 87066943
disilver;2-methylpropanedioate
CID 121393244
(2S)-3-hydroxy-2-(methylazaniumyl)propanoate
CID 7009639
methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium
CID 59032041
gold(3+);tris(2-hydroxypropanoate)
CID 157164422
potassium 2-hydroxypropanoate
CID 23671663
silver (2R)-2-hydroxypropanoate
CID 14178856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylazaniumyl)propanoate?
The IUPAC name of (2S)-2-(methylazaniumyl)propanoate (CID 6971259) is (2S)-2-(methylazaniumyl)propanoate.
What is the SMILES notation for (2S)-2-(methylazaniumyl)propanoate?
The canonical SMILES for (2S)-2-(methylazaniumyl)propanoate is C[NH2+][C@@H](C)C(=O)[O-].
What is the InChIKey of (2S)-2-(methylazaniumyl)propanoate?
The InChIKey is GDFAOVXKHJXLEI-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (2S)-2-(methylazaniumyl)propanoate?
(2S)-2-(methylazaniumyl)propanoate has a molecular weight of 103.12 g/mol, XLogP of -2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylazaniumyl)propanoate is sourced from PubChem (CID 6971259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).