2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid

C13H18N2O3S — CID 115285515

IUPAC2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCC1(C)CCCN1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H18N2O3S/c1-13(2)6-4-7-15(13)12(18)14-10(11(16)17)9-5-3-8-19-9/h3,5,8,10H,4,6-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyYBFSCGTVFGBWMP-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.46
Rot. Bonds3

About 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid

2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115285515) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115285515
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCC1(C)CCCN1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H18N2O3S/c1-13(2)6-4-7-15(13)12(18)14-10(11(16)17)9-5-3-8-19-9/h3,5,8,10H,4,6-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyYBFSCGTVFGBWMP-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 104968052
2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071361
2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285633
2-[(2-methylpyrrolidine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 113278766
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-3-phenylpropanoic acid
CID 63219023
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285222
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115285427
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285319
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115285671

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid (CID 115285515) is 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid is CC1(C)CCCN1C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is YBFSCGTVFGBWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-13(2)6-4-7-15(13)12(18)14-10(11(16)17)9-5-3-8-19-9/h3,5,8,10H,4,6-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 282.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115285515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).