(2R)-2-(carboxylatomethylazaniumyl)propanoate

C5H8NO4- — CID 6971284

IUPAC(2R)-2-(carboxylatomethylazaniumyl)propanoate
SMILESC[C@@H]([NH2+]CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C5H9NO4/c1-3(5(9)10)6-2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/p-1/t3-/m1/s1
InChIKeyXYUPSBLFPTWJLC-GSVOUGTGSA-M
MW146.12 g/mol
LogP-4.56
Rot. Bonds4

About (2R)-2-(carboxylatomethylazaniumyl)propanoate

(2R)-2-(carboxylatomethylazaniumyl)propanoate (PubChem CID 6971284) has the molecular formula C5H8NO4- and a molecular weight of 146.12 g/mol. Its IUPAC name is (2R)-2-(carboxylatomethylazaniumyl)propanoate.

Molecular Properties

Compound Name(2R)-2-(carboxylatomethylazaniumyl)propanoate
PubChem CID6971284
Molecular FormulaC5H8NO4-
Molecular Weight146.12 g/mol
Exact Mass146.05
IUPAC Name(2R)-2-(carboxylatomethylazaniumyl)propanoate
SMILESC[C@@H]([NH2+]CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C5H9NO4/c1-3(5(9)10)6-2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/p-1/t3-/m1/s1
InChIKeyXYUPSBLFPTWJLC-GSVOUGTGSA-M
XLogP-4.56
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-4.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Methyl-L-Alanine
CID 5288725
Alanopine
CID 439943
(2R)-2-(methylamino)propanoic acid
CID 92973
2-Methyl-2-(methylazaniumyl)propanoate
CID 6951124
N-Methyl-DL-Alanine
CID 4377
N-(Carboxymethyl)-D-alanine
CID 5462254
NoName_76
CID 414244
(S)-2-(Methylamino)propanoic acid methyl ester
CID 11040900
Methyl 2-((butan-2-yl)amino)acetate
CID 43177489
2,2'-Iminodipropanoate
CID 46878485
N-ethylalanine
CID 12003149
N-Propyl alanine, L-
CID 15677243

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carboxylatomethylazaniumyl)propanoate?
The IUPAC name of (2R)-2-(carboxylatomethylazaniumyl)propanoate (CID 6971284) is (2R)-2-(carboxylatomethylazaniumyl)propanoate.
What is the SMILES notation for (2R)-2-(carboxylatomethylazaniumyl)propanoate?
The canonical SMILES for (2R)-2-(carboxylatomethylazaniumyl)propanoate is C[C@@H]([NH2+]CC(=O)[O-])C(=O)[O-].
What is the InChIKey of (2R)-2-(carboxylatomethylazaniumyl)propanoate?
The InChIKey is XYUPSBLFPTWJLC-GSVOUGTGSA-M. The full InChI is InChI=1S/C5H9NO4/c1-3(5(9)10)6-2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/p-1/t3-/m1/s1.
What are the key properties of (2R)-2-(carboxylatomethylazaniumyl)propanoate?
(2R)-2-(carboxylatomethylazaniumyl)propanoate has a molecular weight of 146.12 g/mol, XLogP of -4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carboxylatomethylazaniumyl)propanoate is sourced from PubChem (CID 6971284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).