2-(thiophene-3-carbonylamino)acetic acid

C7H7NO3S — CID 3055286

IUPAC2-(thiophene-3-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1ccsc1
InChIInChI=1S/C7H7NO3S/c9-6(10)3-8-7(11)5-1-2-12-4-5/h1-2,4H,3H2,(H,8,11)(H,9,10)
InChIKeyHXDPRNFJDUOQDC-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.56
Rot. Bonds3

About 2-(thiophene-3-carbonylamino)acetic acid

2-(thiophene-3-carbonylamino)acetic acid (PubChem CID 3055286) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-(thiophene-3-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(thiophene-3-carbonylamino)acetic acid
PubChem CID3055286
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name2-(thiophene-3-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1ccsc1
InChIInChI=1S/C7H7NO3S/c9-6(10)3-8-7(11)5-1-2-12-4-5/h1-2,4H,3H2,(H,8,11)(H,9,10)
InChIKeyHXDPRNFJDUOQDC-UHFFFAOYSA-N
XLogP0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Magnesium, bis(N-(3-thienylcarbonyl)glycinato-O,O(sup N))-, (T-4)-
CID 3055285
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)thiophene-3-carboxamide
CID 71787267
N-methylthiophene-3-carboxamide
CID 819553
methyl N-methyl-N-(thiophene-3-carbonyl)glycinate
CID 43407716
methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate
CID 55028598
N-[(S)-2-hydroxy-2-methyl-4-(methylthio)butyl]-3-thenamide
CID 95984273
N-Butylthiophene-3-carboxamide
CID 12161492
3-thiophenecarboxamide, N-2-propynyl-
CID 60656784
N-[2-oxo-2-(propylamino)ethyl]thiophene-3-carboxamide
CID 45850141
(2S)-4-methylsulfanyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 21119038
N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 45497145
N-(2-amino-2-oxoethyl)-2-fluorothiophene-3-carboxamide
CID 123351083

Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-3-carbonylamino)acetic acid?
The IUPAC name of 2-(thiophene-3-carbonylamino)acetic acid (CID 3055286) is 2-(thiophene-3-carbonylamino)acetic acid.
What is the SMILES notation for 2-(thiophene-3-carbonylamino)acetic acid?
The canonical SMILES for 2-(thiophene-3-carbonylamino)acetic acid is O=C(O)CNC(=O)c1ccsc1.
What is the InChIKey of 2-(thiophene-3-carbonylamino)acetic acid?
The InChIKey is HXDPRNFJDUOQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c9-6(10)3-8-7(11)5-1-2-12-4-5/h1-2,4H,3H2,(H,8,11)(H,9,10).
What are the key properties of 2-(thiophene-3-carbonylamino)acetic acid?
2-(thiophene-3-carbonylamino)acetic acid has a molecular weight of 185.20 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-3-carbonylamino)acetic acid is sourced from PubChem (CID 3055286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).