azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate

C5H12N2O4S — CID 141310165

IUPACazanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate
SMILESN[C@@H](CSCC(=O)O)C(=O)[O-].[NH4+]
InChIInChI=1S/C5H9NO4S.H3N/c6-3(5(9)10)1-11-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3/t3-;/m0./s1
InChIKeyRHESOLJDTZCUJH-DFWYDOINSA-N
MW196.23 g/mol
LogP-1.74
Rot. Bonds5

About azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate

azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate (PubChem CID 141310165) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate.

Molecular Properties

Compound Nameazanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate
PubChem CID141310165
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Nameazanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate
SMILESN[C@@H](CSCC(=O)O)C(=O)[O-].[NH4+]
InChIInChI=1S/C5H9NO4S.H3N/c6-3(5(9)10)1-11-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3/t3-;/m0./s1
InChIKeyRHESOLJDTZCUJH-DFWYDOINSA-N
XLogP-1.74
TPSA139.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate
CID 71539035
2-(2-aminopropylsulfanyl)acetic acid
CID 66217411
2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid
CID 71360068
sodium (2S)-2-amino-3-sulfosulfanylpropanoate
CID 140887346
2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid
CID 24696064
(2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate
CID 6857709
tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)
CID 173162315
(2S)-3-(carboxymethylsulfanyl)-2-methylpropanoic acid
CID 88779681
2-amino-4-[2-(carboxymethylsulfanyl)ethylsulfanyl]butanoic acid
CID 11622975
(2R)-2-amino-3-hydroxypropanoate
CID 5460788
beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate
CID 173366777
(2S)-2-amino-4-hydroxypentanedioate
CID 5460078

Frequently Asked Questions

What is the IUPAC name of azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate?
The IUPAC name of azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate (CID 141310165) is azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate.
What is the SMILES notation for azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate?
The canonical SMILES for azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate is N[C@@H](CSCC(=O)O)C(=O)[O-].[NH4+].
What is the InChIKey of azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate?
The InChIKey is RHESOLJDTZCUJH-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4S.H3N/c6-3(5(9)10)1-11-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3/t3-;/m0./s1.
What are the key properties of azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate?
azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate has a molecular weight of 196.23 g/mol, XLogP of -1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate is sourced from PubChem (CID 141310165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).