(2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid

C11H16N2O3S2 — CID 61142490

IUPAC(2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
SMILESN[C@@H](CSCC(=O)NCCc1cccs1)C(=O)O
InChIInChI=1S/C11H16N2O3S2/c12-9(11(15)16)6-17-7-10(14)13-4-3-8-2-1-5-18-8/h1-2,5,9H,3-4,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyDSLOJPDYHKWNHB-VIFPVBQESA-N
MW288.39 g/mol
LogP0.55
Rot. Bonds8

About (2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid

(2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid (PubChem CID 61142490) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
PubChem CID61142490
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name(2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
SMILESN[C@@H](CSCC(=O)NCCc1cccs1)C(=O)O
InChIInChI=1S/C11H16N2O3S2/c12-9(11(15)16)6-17-7-10(14)13-4-3-8-2-1-5-18-8/h1-2,5,9H,3-4,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyDSLOJPDYHKWNHB-VIFPVBQESA-N
XLogP0.55
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid
CID 36690947
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 40517895
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 43303565
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
N'-(2-thiophen-2-ylethyl)oxamide
CID 115192053
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 7604132

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid (CID 61142490) is (2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid is N[C@@H](CSCC(=O)NCCc1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid?
The InChIKey is DSLOJPDYHKWNHB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O3S2/c12-9(11(15)16)6-17-7-10(14)13-4-3-8-2-1-5-18-8/h1-2,5,9H,3-4,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid has a molecular weight of 288.39 g/mol, XLogP of 0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid is sourced from PubChem (CID 61142490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).