(2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid

C7H7BrClNO2S — CID 102841274

IUPAC(2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid
SMILESN[C@@H](Cc1cc(Br)c(Cl)s1)C(=O)O
InChIInChI=1S/C7H7BrClNO2S/c8-4-1-3(13-6(4)9)2-5(10)7(11)12/h1,5H,2,10H2,(H,11,12)/t5-/m0/s1
InChIKeyHEBFMWMBOZRXMV-YFKPBYRVSA-N
MW284.56 g/mol
LogP2.12
Rot. Bonds3

About (2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid

(2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid (PubChem CID 102841274) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid
PubChem CID102841274
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name(2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid
SMILESN[C@@H](Cc1cc(Br)c(Cl)s1)C(=O)O
InChIInChI=1S/C7H7BrClNO2S/c8-4-1-3(13-6(4)9)2-5(10)7(11)12/h1,5H,2,10H2,(H,11,12)/t5-/m0/s1
InChIKeyHEBFMWMBOZRXMV-YFKPBYRVSA-N
XLogP2.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-bromo-5-chlorothiophen-2-yl)-2-hydroxypropanoic acid
CID 125424978
2-[(4-bromo-5-chlorothiophen-2-yl)methyl-methylamino]propanoic acid
CID 102845011
(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide
CID 102841382
2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride
CID 11380226
(2S)-2-amino-3-(2,3,5-tribromophenyl)propanoic acid
CID 131862569
2-amino-3-(5-bromothiophen-3-yl)propanoic acid
CID 82665215
2-amino-3-(2,4-dichloro-1,3-thiazol-5-yl)propanoic acid
CID 126971238
2-amino-3-(3-bromofuran-2-yl)propanoic acid
CID 106885892
(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458720
2-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124426
(2S)-2-amino-4-(2,5-dichlorothiophen-3-yl)-4-oxobutanoic acid
CID 106702681
(2R)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458721

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid (CID 102841274) is (2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid is N[C@@H](Cc1cc(Br)c(Cl)s1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid?
The InChIKey is HEBFMWMBOZRXMV-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c8-4-1-3(13-6(4)9)2-5(10)7(11)12/h1,5H,2,10H2,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid?
(2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid has a molecular weight of 284.56 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid is sourced from PubChem (CID 102841274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).