(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate

C5H14N2O5S — CID 71539035

IUPAC(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate
SMILESN.N[C@@H](CSCC(=O)O)C(=O)O.O
InChIInChI=1S/C5H9NO4S.H3N.H2O/c6-3(5(9)10)1-11-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3;1H2/t3-;;/m0../s1
InChIKeyFNIBULIZWZBPKC-QTNFYWBSSA-N
MW214.24 g/mol
LogP-1.45
Rot. Bonds5

About (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate

(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate (PubChem CID 71539035) has the molecular formula C5H14N2O5S and a molecular weight of 214.24 g/mol. Its IUPAC name is (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate.

Molecular Properties

Compound Name(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate
PubChem CID71539035
Molecular FormulaC5H14N2O5S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate
SMILESN.N[C@@H](CSCC(=O)O)C(=O)O.O
InChIInChI=1S/C5H9NO4S.H3N.H2O/c6-3(5(9)10)1-11-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3;1H2/t3-;;/m0../s1
InChIKeyFNIBULIZWZBPKC-QTNFYWBSSA-N
XLogP-1.45
TPSA167.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate
CID 141310165
2-(2-aminopropylsulfanyl)acetic acid
CID 66217411
2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid
CID 24696064
2-amino-4-[2-(carboxymethylsulfanyl)ethylsulfanyl]butanoic acid
CID 11622975
2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
CID 21345005
2-amino-3-[(2S)-2-amino-3-oxobutyl]sulfanylpropanoic acid
CID 59034309
(2S)-2-amino-3-(cyanomethylsulfanyl)propanoic acid
CID 38989108
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydrate;dihydrochloride
CID 175225773
2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid
CID 71360068
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydrate;hydrochloride
CID 57364743
(2S)-3-(carboxymethylsulfanyl)-2-methylpropanoic acid
CID 88779681
3-(2-acetamido-2-oxoethyl)sulfanyl-2-aminopropanoic acid
CID 155907009

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate?
The IUPAC name of (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate (CID 71539035) is (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate.
What is the SMILES notation for (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate?
The canonical SMILES for (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate is N.N[C@@H](CSCC(=O)O)C(=O)O.O.
What is the InChIKey of (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate?
The InChIKey is FNIBULIZWZBPKC-QTNFYWBSSA-N. The full InChI is InChI=1S/C5H9NO4S.H3N.H2O/c6-3(5(9)10)1-11-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3;1H2/t3-;;/m0../s1.
What are the key properties of (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate?
(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate has a molecular weight of 214.24 g/mol, XLogP of -1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate is sourced from PubChem (CID 71539035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).