(2-hydroxy-1-hydroxycarbonylethyl)azanium chloride

C3H8ClNO3 — CID 165413536

IUPAC(2-hydroxy-1-hydroxycarbonylethyl)azanium chloride
SMILES[Cl-].[NH3+]C(CO)[13C](=O)O
InChIInChI=1S/C3H7NO3.ClH/c4-2(1-5)3(6)7;/h2,5H,1,4H2,(H,6,7);1H/i3+1;
InChIKeySTMOVTSFWYRCOB-FJUFCODESA-N
MW142.55 g/mol
LogP-5.32
Rot. Bonds2

About (2-hydroxy-1-hydroxycarbonylethyl)azanium chloride

(2-hydroxy-1-hydroxycarbonylethyl)azanium chloride (PubChem CID 165413536) has the molecular formula C3H8ClNO3 and a molecular weight of 142.55 g/mol. Its IUPAC name is (2-hydroxy-1-hydroxycarbonylethyl)azanium chloride.

Molecular Properties

Compound Name(2-hydroxy-1-hydroxycarbonylethyl)azanium chloride
PubChem CID165413536
Molecular FormulaC3H8ClNO3
Molecular Weight142.55 g/mol
Exact Mass142.02
IUPAC Name(2-hydroxy-1-hydroxycarbonylethyl)azanium chloride
SMILES[Cl-].[NH3+]C(CO)[13C](=O)O
InChIInChI=1S/C3H7NO3.ClH/c4-2(1-5)3(6)7;/h2,5H,1,4H2,(H,6,7);1H/i3+1;
InChIKeySTMOVTSFWYRCOB-FJUFCODESA-N
XLogP-5.32
TPSA85.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.55
LogP ≤ 5-5.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-carboxy-2-hydroxyethyl]azanium
CID 5460790
[(1R)-2-azaniumyl-1-carboxyethyl]azanium
CID 102469878
(1-amino-3-hydroxy-1-oxopropan-2-yl)azanium
CID 25201551
2-azaniumyl-3-hydroxy-3-oxopropane-1-thiolate;zinc
CID 21133236
[(1S)-1-carboxy-4,4,4-trifluoro-3-(trifluoromethyl)butyl]azanium chloride
CID 11414689
(3-amino-1-carboxy-3-oxopropyl)azanium
CID 5460874
[(1S)-3-bromo-1-carboxypropyl]azanium
CID 50936920
[(1S)-1,3-dicarboxypropyl]azanium
CID 5147171
CID 158303129
CID 158303129
(2-azaniumyl-2-carboxyethyl)-diethylazanium dichloride
CID 10728320
(1-carboxy-2-hydroxyethyl)azanide;platinum
CID 59970240
(1-carboxy-3-chlorobutyl)azanium
CID 135075357

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1-hydroxycarbonylethyl)azanium chloride?
The IUPAC name of (2-hydroxy-1-hydroxycarbonylethyl)azanium chloride (CID 165413536) is (2-hydroxy-1-hydroxycarbonylethyl)azanium chloride.
What is the SMILES notation for (2-hydroxy-1-hydroxycarbonylethyl)azanium chloride?
The canonical SMILES for (2-hydroxy-1-hydroxycarbonylethyl)azanium chloride is [Cl-].[NH3+]C(CO)[13C](=O)O.
What is the InChIKey of (2-hydroxy-1-hydroxycarbonylethyl)azanium chloride?
The InChIKey is STMOVTSFWYRCOB-FJUFCODESA-N. The full InChI is InChI=1S/C3H7NO3.ClH/c4-2(1-5)3(6)7;/h2,5H,1,4H2,(H,6,7);1H/i3+1;.
What are the key properties of (2-hydroxy-1-hydroxycarbonylethyl)azanium chloride?
(2-hydroxy-1-hydroxycarbonylethyl)azanium chloride has a molecular weight of 142.55 g/mol, XLogP of -5.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-hydroxycarbonylethyl)azanium chloride is sourced from PubChem (CID 165413536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).