2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid

C6H10ClNO2S — CID 24696064

IUPAC2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid
SMILESC=C(Cl)CSCC(N)C(=O)O
InChIInChI=1S/C6H10ClNO2S/c1-4(7)2-11-3-5(8)6(9)10/h5H,1-3,8H2,(H,9,10)
InChIKeyHCPYEQUTBBDWDU-UHFFFAOYSA-N
MW195.67 g/mol
LogP0.88
Rot. Bonds5

About 2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid

2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid (PubChem CID 24696064) has the molecular formula C6H10ClNO2S and a molecular weight of 195.67 g/mol. Its IUPAC name is 2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid
PubChem CID24696064
Molecular FormulaC6H10ClNO2S
Molecular Weight195.67 g/mol
Exact Mass195.01
IUPAC Name2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid
SMILESC=C(Cl)CSCC(N)C(=O)O
InChIInChI=1S/C6H10ClNO2S/c1-4(7)2-11-3-5(8)6(9)10/h5H,1-3,8H2,(H,9,10)
InChIKeyHCPYEQUTBBDWDU-UHFFFAOYSA-N
XLogP0.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid 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

(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate
CID 71539035
(2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid
CID 142758437
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;selane
CID 174366423
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;cadmium
CID 167531179
CID 87090924
CID 87090924
2-amino-3-[(2S)-2-amino-3-oxobutyl]sulfanylpropanoic acid
CID 59034309
2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
CID 21345005
disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydride
CID 173044539
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydrate;dihydrochloride
CID 175225773
dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride
CID 173165305
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydrate;hydrochloride
CID 57364743
2-amino-3-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385296

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid (CID 24696064) is 2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid is C=C(Cl)CSCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid?
The InChIKey is HCPYEQUTBBDWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2S/c1-4(7)2-11-3-5(8)6(9)10/h5H,1-3,8H2,(H,9,10).
What are the key properties of 2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid?
2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid has a molecular weight of 195.67 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloroprop-2-enylsulfanyl)propanoic acid is sourced from PubChem (CID 24696064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).