2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid

C11H14ClN3O4S — CID 106039693

IUPAC2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O4S/c12-8-2-1-7(20-8)3-4-13-11(19)15-5-9(16)14-6-10(17)18/h1-2H,3-6H2,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyNUOIBLPAENTJRX-UHFFFAOYSA-N
MW319.77 g/mol
LogP0.44
Rot. Bonds7

About 2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid

2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid (PubChem CID 106039693) has the molecular formula C11H14ClN3O4S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
PubChem CID106039693
Molecular FormulaC11H14ClN3O4S
Molecular Weight319.77 g/mol
Exact Mass319.04
IUPAC Name2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O4S/c12-8-2-1-7(20-8)3-4-13-11(19)15-5-9(16)14-6-10(17)18/h1-2H,3-6H2,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyNUOIBLPAENTJRX-UHFFFAOYSA-N
XLogP0.44
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47247812
3-[4-(5-chlorothiophen-2-yl)butylcarbamoylamino]propanoic acid
CID 122013691
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
2-[[2-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 61440287
3-[[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 106040031
2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43387544
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438324
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504992

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid (CID 106039693) is 2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid?
The InChIKey is NUOIBLPAENTJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4S/c12-8-2-1-7(20-8)3-4-13-11(19)15-5-9(16)14-6-10(17)18/h1-2H,3-6H2,(H,14,16)(H,17,18)(H2,13,15,19).
What are the key properties of 2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid?
2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid has a molecular weight of 319.77 g/mol, XLogP of 0.44, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 106039693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).