2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid

C11H14ClNO3S2 — CID 62626392

IUPAC2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO3S2/c1-7(11(15)16)13(2)10(14)6-17-5-8-3-4-9(12)18-8/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeySFNIPDWGGDPOGB-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.57
Rot. Bonds6

About 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid

2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid (PubChem CID 62626392) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid
PubChem CID62626392
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC Name2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO3S2/c1-7(11(15)16)13(2)10(14)6-17-5-8-3-4-9(12)18-8/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeySFNIPDWGGDPOGB-UHFFFAOYSA-N
XLogP2.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-2-methylpropanoic acid
CID 62818490
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475930
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide
CID 46551149
2-[tert-butyl-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]acetic acid
CID 79266226
2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-methylamino]propanoic acid
CID 62628182
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1-hydroxypropan-2-yl)acetamide
CID 43418794
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283632
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-hydroxypropanoic acid
CID 43171672
2-[[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]methyl]butanoic acid
CID 65218089
ethyl 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]propanoate
CID 47368145
2-[methyl-[2-(2-phenylethylsulfanyl)acetyl]amino]propanoic acid
CID 62626571
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid (CID 62626392) is 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)CSCc1ccc(Cl)s1.
What is the InChIKey of 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid?
The InChIKey is SFNIPDWGGDPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c1-7(11(15)16)13(2)10(14)6-17-5-8-3-4-9(12)18-8/h3-4,7H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid?
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid has a molecular weight of 307.82 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 62626392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).