2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid

C9H9ClN2O4S — CID 43387544

IUPAC2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2O4S/c10-6-2-1-5(17-6)9(16)12-3-7(13)11-4-8(14)15/h1-2H,3-4H2,(H,11,13)(H,12,16)(H,14,15)
InChIKeyKXXWLYXBGZXMGN-UHFFFAOYSA-N
MW276.70 g/mol
LogP0.33
Rot. Bonds5

About 2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 43387544) has the molecular formula C9H9ClN2O4S and a molecular weight of 276.70 g/mol. Its IUPAC name is 2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID43387544
Molecular FormulaC9H9ClN2O4S
Molecular Weight276.70 g/mol
Exact Mass276.00
IUPAC Name2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2O4S/c10-6-2-1-5(17-6)9(16)12-3-7(13)11-4-8(14)15/h1-2H,3-4H2,(H,11,13)(H,12,16)(H,14,15)
InChIKeyKXXWLYXBGZXMGN-UHFFFAOYSA-N
XLogP0.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
CID 64994287
5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
CID 64991724
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 9480604
2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 106039693
2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid
CID 82475711
4-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064597
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
2-[[2-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 61440287
2-[[2-(1-benzothiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 43388124
2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
CID 80733577
[2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid
CID 89478549

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid (CID 43387544) is 2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is KXXWLYXBGZXMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O4S/c10-6-2-1-5(17-6)9(16)12-3-7(13)11-4-8(14)15/h1-2H,3-4H2,(H,11,13)(H,12,16)(H,14,15).
What are the key properties of 2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 276.70 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43387544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).