4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid

C10H12ClNO3S — CID 103925944

IUPAC4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO3S/c11-8-2-1-7(16-8)5-6-12-9(13)3-4-10(14)15/h1-2H,3-6H2,(H,12,13)(H,14,15)
InChIKeyUJHRMVHLFBLWDM-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.92
Rot. Bonds6

About 4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid

4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid (PubChem CID 103925944) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
PubChem CID103925944
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO3S/c11-8-2-1-7(16-8)5-6-12-9(13)3-4-10(14)15/h1-2H,3-6H2,(H,12,13)(H,14,15)
InChIKeyUJHRMVHLFBLWDM-UHFFFAOYSA-N
XLogP1.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 106039693
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
3-[4-(5-chlorothiophen-2-yl)butylcarbamoylamino]propanoic acid
CID 122013691
N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 119548205
6-(5-chlorothiophen-2-yl)hexanoic acid
CID 43446917
2-[4-[2-[3-(5-chlorothiophen-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255845
2-[1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106032552
3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide
CID 60545455

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid (CID 103925944) is 4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid is O=C(O)CCC(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid?
The InChIKey is UJHRMVHLFBLWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c11-8-2-1-7(16-8)5-6-12-9(13)3-4-10(14)15/h1-2H,3-6H2,(H,12,13)(H,14,15).
What are the key properties of 4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid?
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid has a molecular weight of 261.73 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 103925944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).