2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid

C9H11NO3S — CID 43354495

IUPAC2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)NCC(=O)O)c(C)s1
InChIInChI=1S/C9H11NO3S/c1-5-3-7(6(2)14-5)9(13)10-4-8(11)12/h3H,4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyFUHVFFYLUVNDOU-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.18
Rot. Bonds3

About 2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid

2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid (PubChem CID 43354495) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
PubChem CID43354495
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)NCC(=O)O)c(C)s1
InChIInChI=1S/C9H11NO3S/c1-5-3-7(6(2)14-5)9(13)10-4-8(11)12/h3H,4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyFUHVFFYLUVNDOU-UHFFFAOYSA-N
XLogP1.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 114619039
N-[2-(ethylamino)-2-oxoethyl]-2,5-dimethylthiophene-3-carboxamide
CID 39969728
N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide
CID 47439097
N-(2-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
CID 43393371
2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 130609460
5-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024303
N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide
CID 60682341
2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide
CID 47113989
2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid
CID 62034278
2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid
CID 82476162
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 114146362
2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid
CID 62534196

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid (CID 43354495) is 2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid is Cc1cc(C(=O)NCC(=O)O)c(C)s1.
What is the InChIKey of 2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid?
The InChIKey is FUHVFFYLUVNDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-5-3-7(6(2)14-5)9(13)10-4-8(11)12/h3H,4H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid?
2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid has a molecular weight of 213.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 43354495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).