[(1S)-1,2-dicarboxyethyl]azanium

C4H8NO4+ — CID 70701347

IUPAC[(1S)-1,2-dicarboxyethyl]azanium
SMILES[NH3+][C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p+1/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-O
MW134.11 g/mol
LogP-1.84
Rot. Bonds3

About [(1S)-1,2-dicarboxyethyl]azanium

[(1S)-1,2-dicarboxyethyl]azanium (PubChem CID 70701347) has the molecular formula C4H8NO4+ and a molecular weight of 134.11 g/mol. Its IUPAC name is [(1S)-1,2-dicarboxyethyl]azanium.

Molecular Properties

Compound Name[(1S)-1,2-dicarboxyethyl]azanium
PubChem CID70701347
Molecular FormulaC4H8NO4+
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Name[(1S)-1,2-dicarboxyethyl]azanium
SMILES[NH3+][C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p+1/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-O
XLogP-1.84
TPSA102.24 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1,2-dicarboxyethyl]azanium?
The IUPAC name of [(1S)-1,2-dicarboxyethyl]azanium (CID 70701347) is [(1S)-1,2-dicarboxyethyl]azanium.
What is the SMILES notation for [(1S)-1,2-dicarboxyethyl]azanium?
The canonical SMILES for [(1S)-1,2-dicarboxyethyl]azanium is [NH3+][C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of [(1S)-1,2-dicarboxyethyl]azanium?
The InChIKey is CKLJMWTZIZZHCS-REOHCLBHSA-O. The full InChI is InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p+1/t2-/m0/s1.
What are the key properties of [(1S)-1,2-dicarboxyethyl]azanium?
[(1S)-1,2-dicarboxyethyl]azanium has a molecular weight of 134.11 g/mol, XLogP of -1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,2-dicarboxyethyl]azanium is sourced from PubChem (CID 70701347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).