(2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid

C10H11ClFNO2S — CID 102846920

IUPAC(2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCc1cccc(Cl)c1F)C(=O)O
InChIInChI=1S/C10H11ClFNO2S/c11-7-3-1-2-6(9(7)12)4-16-5-8(13)10(14)15/h1-3,8H,4-5,13H2,(H,14,15)/t8-/m0/s1
InChIKeyHCMYJIHCXBNODZ-QMMMGPOBSA-N
MW263.72 g/mol
LogP2.12
Rot. Bonds5

About (2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid

(2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid (PubChem CID 102846920) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is (2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid
PubChem CID102846920
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC Name(2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCc1cccc(Cl)c1F)C(=O)O
InChIInChI=1S/C10H11ClFNO2S/c11-7-3-1-2-6(9(7)12)4-16-5-8(13)10(14)15/h1-3,8H,4-5,13H2,(H,14,15)/t8-/m0/s1
InChIKeyHCMYJIHCXBNODZ-QMMMGPOBSA-N
XLogP2.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-4-[(3-chloro-2-fluorophenyl)methylsulfanyl]butanoate
CID 102856056
2-amino-3-[(2-bromophenyl)methylsulfanyl]propanoic acid
CID 24698640
3-[(3-chloro-2-fluorophenyl)methylsulfanyl]butanoic acid
CID 102855510
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate
CID 171238083
2-amino-3-[(6-chloro-2-pyridinyl)methylsulfanyl]propanoic acid
CID 79240904
(2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 61141294
(2R)-2-amino-3-[(2-methoxycarbonylphenyl)methylsulfanyl]propanoic acid
CID 70542602
(2R)-2-amino-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CID 61141918
2-bromo-3-(3-chloro-2-fluorophenyl)propanamide
CID 104513002
(2S)-2-amino-4-[(2-fluorophenyl)methylsulfanyl]butanoic acid
CID 57255612
1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine
CID 102857603

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid (CID 102846920) is (2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid is N[C@@H](CSCc1cccc(Cl)c1F)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid?
The InChIKey is HCMYJIHCXBNODZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c11-7-3-1-2-6(9(7)12)4-16-5-8(13)10(14)15/h1-3,8H,4-5,13H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid?
(2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid has a molecular weight of 263.72 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(3-chloro-2-fluorophenyl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 102846920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).