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

C7H6ClNO3S — CID 43239030

IUPAC2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H6ClNO3S/c8-5-2-1-4(13-5)7(12)9-3-6(10)11/h1-2H,3H2,(H,9,12)(H,10,11)
InChIKeyHACZPPBLNKXGCR-UHFFFAOYSA-N
MW219.65 g/mol
LogP1.22
Rot. Bonds3

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

2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid (PubChem CID 43239030) has the molecular formula C7H6ClNO3S and a molecular weight of 219.65 g/mol. Its IUPAC name is 2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid
PubChem CID43239030
Molecular FormulaC7H6ClNO3S
Molecular Weight219.65 g/mol
Exact Mass218.98
IUPAC Name2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H6ClNO3S/c8-5-2-1-4(13-5)7(12)9-3-6(10)11/h1-2H,3H2,(H,9,12)(H,10,11)
InChIKeyHACZPPBLNKXGCR-UHFFFAOYSA-N
XLogP1.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 1244060
((2-Thienylcarbonyl)amino)acetic acid
CID 679227
Ethyl (5-chlorothiophene-2-carbonyl)glycinate
CID 2225367
2-[(5-Methylthiophen-2-yl)formamido]acetic acid
CID 2392412
5-chloro-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1246546
5-chloro-N-methylthiophene-2-carboxamide
CID 13411287
(2R)-2-[(5-chlorothiophen-2-yl)formamido]-3-methylbutanoic acid
CID 79011308
2-[(5-Bromothiophen-2-yl)formamido]acetic acid
CID 20117582
1-(5-Chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 22557517
5-chloro-N-ethylthiophene-2-carboxamide
CID 667834
(((3-Chloro-2-thienyl)carbonyl)amino)acetic acid
CID 24212758
5-chloro-N-[2-hydroxy-2-methyl-4-(methylsulfanyl)butyl]thiophene-2-carboxamide
CID 71787284

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid (CID 43239030) is 2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid?
The InChIKey is HACZPPBLNKXGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3S/c8-5-2-1-4(13-5)7(12)9-3-6(10)11/h1-2H,3H2,(H,9,12)(H,10,11).
What are the key properties of 2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid?
2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid has a molecular weight of 219.65 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 43239030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).