2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid

C13H16N2O4S — CID 119172478

IUPAC2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C13H16N2O4S/c1-14(8-11(16)17)12(18)9-4-2-6-15(9)13(19)10-5-3-7-20-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,16,17)
InChIKeyWTIMEDQJDBOBKX-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.90
Rot. Bonds4

About 2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid

2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 119172478) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID119172478
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C13H16N2O4S/c1-14(8-11(16)17)12(18)9-4-2-6-15(9)13(19)10-5-3-7-20-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,16,17)
InChIKeyWTIMEDQJDBOBKX-UHFFFAOYSA-N
XLogP0.90
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24545782
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42904904
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51143645
(2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 9208185
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94188023
2-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119224134
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 25347508
N-benzyl-N-(2-hydroxyethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78855278
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844749

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid (CID 119172478) is 2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid is CN(CC(=O)O)C(=O)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of 2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is WTIMEDQJDBOBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-14(8-11(16)17)12(18)9-4-2-6-15(9)13(19)10-5-3-7-20-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,16,17).
What are the key properties of 2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid?
2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 296.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 119172478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).