3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid

C9H10ClNO3S — CID 64693816

IUPAC3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid
SMILESNCC(C(=O)O)S(=O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO3S/c10-6-3-1-2-4-7(6)15(14)8(5-11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKeyYYBGLVOBAVGQKD-UHFFFAOYSA-N
MW247.70 g/mol
LogP0.86
Rot. Bonds4

About 3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid

3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid (PubChem CID 64693816) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid.

Molecular Properties

Compound Name3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid
PubChem CID64693816
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid
SMILESNCC(C(=O)O)S(=O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO3S/c10-6-3-1-2-4-7(6)15(14)8(5-11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKeyYYBGLVOBAVGQKD-UHFFFAOYSA-N
XLogP0.86
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(benzenesulfinyl)propanoic acid
CID 64693814
3-amino-2-(2-nitrophenyl)sulfinylpropanoic acid
CID 64694034
2-(2-chlorophenyl)sulfinyl-3-methylbutanoic acid
CID 61303125
(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid
CID 16730463
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide
CID 61303594
2-(azepan-1-yl)-2-(2-chlorophenyl)ethanamine;oxalic acid
CID 45075213
5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 46371008
5-[[(S)-(2-chlorophenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 92730218
2-aminoethanol;2-chlorobenzoic acid
CID 86075909
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine
CID 64658469

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid?
The IUPAC name of 3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid (CID 64693816) is 3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid.
What is the SMILES notation for 3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid?
The canonical SMILES for 3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid is NCC(C(=O)O)S(=O)c1ccccc1Cl.
What is the InChIKey of 3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid?
The InChIKey is YYBGLVOBAVGQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c10-6-3-1-2-4-7(6)15(14)8(5-11)9(12)13/h1-4,8H,5,11H2,(H,12,13).
What are the key properties of 3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid?
3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid has a molecular weight of 247.70 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chlorophenyl)sulfinylpropanoic acid is sourced from PubChem (CID 64693816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).