(2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid

C9H11NO3S2 — CID 54346081

IUPAC(2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid
SMILESCC(=O)N[C@@H](CSc1cccs1)C(=O)O
InChIInChI=1S/C9H11NO3S2/c1-6(11)10-7(9(12)13)5-15-8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyUCKAXMDQPPPBPQ-ZETCQYMHSA-N
MW245.32 g/mol
LogP1.43
Rot. Bonds5

About (2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid

(2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid (PubChem CID 54346081) has the molecular formula C9H11NO3S2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid
PubChem CID54346081
Molecular FormulaC9H11NO3S2
Molecular Weight245.32 g/mol
Exact Mass245.02
IUPAC Name(2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid
SMILESCC(=O)N[C@@H](CSc1cccs1)C(=O)O
InChIInChI=1S/C9H11NO3S2/c1-6(11)10-7(9(12)13)5-15-8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyUCKAXMDQPPPBPQ-ZETCQYMHSA-N
XLogP1.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

S-Thiophen-2-yl-L-cysteine
CID 16218806
N-propan-2-yl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetamide
CID 40059736
3,3,3-Trifluoro-2-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 79793203
2-Amino-3-thiophen-2-ylsulfanylpropanoic acid
CID 4059960
2-Acetamido-3-thiophen-2-ylsulfanylpropanoic acid
CID 17897226
2-Aminopropanoic acid;thiophene
CID 22096702
(2S)-2-aminopropanoic acid;thiophene
CID 22940584
2-(Methylamino)-3-thiophen-2-ylsulfanylpropanoic acid
CID 61934259
(2R)-2-aminopropanoic acid;thiophene
CID 67788437
methyl (2R)-2-[acetyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoate
CID 69098612
(2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid
CID 69098628
(2R)-2-[methoxycarbonyl(methyl)amino]-3-thiophen-2-ylsulfanylpropanoic acid
CID 69098709

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid (CID 54346081) is (2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid is CC(=O)N[C@@H](CSc1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid?
The InChIKey is UCKAXMDQPPPBPQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11NO3S2/c1-6(11)10-7(9(12)13)5-15-8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid?
(2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-thiophen-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 54346081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).