[(1S)-1-carboxy-2-hydroxyethyl]azanium

C3H8NO3+ — CID 5460790

IUPAC[(1S)-1-carboxy-2-hydroxyethyl]azanium
SMILES[NH3+][C@@H](CO)C(=O)O
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m0/s1
InChIKeyMTCFGRXMJLQNBG-REOHCLBHSA-O
MW106.10 g/mol
LogP-2.33
Rot. Bonds2

About [(1S)-1-carboxy-2-hydroxyethyl]azanium

[(1S)-1-carboxy-2-hydroxyethyl]azanium (PubChem CID 5460790) has the molecular formula C3H8NO3+ and a molecular weight of 106.10 g/mol. Its IUPAC name is [(1S)-1-carboxy-2-hydroxyethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-carboxy-2-hydroxyethyl]azanium
PubChem CID5460790
Molecular FormulaC3H8NO3+
Molecular Weight106.10 g/mol
Exact Mass106.05
IUPAC Name[(1S)-1-carboxy-2-hydroxyethyl]azanium
SMILES[NH3+][C@@H](CO)C(=O)O
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m0/s1
InChIKeyMTCFGRXMJLQNBG-REOHCLBHSA-O
XLogP-2.33
TPSA85.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2-hydroxy-1-hydroxycarbonylethyl)azanium chloride
CID 165413536
[(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
(3-amino-1-carboxy-3-oxopropyl)azanium
CID 5460874
[(1S)-1,3-dicarboxypropyl]azanium
CID 5147171
[(1S)-3-bromo-1-carboxypropyl]azanium
CID 50936920
CID 158303129
CID 158303129
(1-carboxy-2-hydroxyethyl)azanide;platinum
CID 59970240
(1-carboxy-3-chlorobutyl)azanium
CID 135075357
(2R)-2-(hydroxymethyl)butanoic acid
CID 11586303
2,3-dihydroxypropanoic acid
CID 175601105

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-carboxy-2-hydroxyethyl]azanium?
The IUPAC name of [(1S)-1-carboxy-2-hydroxyethyl]azanium (CID 5460790) is [(1S)-1-carboxy-2-hydroxyethyl]azanium.
What is the SMILES notation for [(1S)-1-carboxy-2-hydroxyethyl]azanium?
The canonical SMILES for [(1S)-1-carboxy-2-hydroxyethyl]azanium is [NH3+][C@@H](CO)C(=O)O.
What is the InChIKey of [(1S)-1-carboxy-2-hydroxyethyl]azanium?
The InChIKey is MTCFGRXMJLQNBG-REOHCLBHSA-O. The full InChI is InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1/t2-/m0/s1.
What are the key properties of [(1S)-1-carboxy-2-hydroxyethyl]azanium?
[(1S)-1-carboxy-2-hydroxyethyl]azanium has a molecular weight of 106.10 g/mol, XLogP of -2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-carboxy-2-hydroxyethyl]azanium is sourced from PubChem (CID 5460790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).