2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C14H18N2O3S — CID 102895715

IUPAC2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESNC(C(=O)N1CC2CCCC2C1C(=O)O)c1cccs1
InChIInChI=1S/C14H18N2O3S/c15-11(10-5-2-6-20-10)13(17)16-7-8-3-1-4-9(8)12(16)14(18)19/h2,5-6,8-9,11-12H,1,3-4,7,15H2,(H,18,19)
InChIKeyIUJYTIPOEGZBKQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.46
Rot. Bonds3

About 2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102895715) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102895715
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESNC(C(=O)N1CC2CCCC2C1C(=O)O)c1cccs1
InChIInChI=1S/C14H18N2O3S/c15-11(10-5-2-6-20-10)13(17)16-7-8-3-1-4-9(8)12(16)14(18)19/h2,5-6,8-9,11-12H,1,3-4,7,15H2,(H,18,19)
InChIKeyIUJYTIPOEGZBKQ-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid with MolForge

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Related Compounds

2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115287116
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 115287229
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 115287047
2-phenylmethoxycarbonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 73243312
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
(3S,3aS,6aS)-2-(1-benzothiophene-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 129469893
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate
CID 115286566
2-(3-methylpyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891420
cyclobutyl 2-amino-2-thiophen-2-ylacetate
CID 115285077
2-(3-hydroxy-2-methylbenzoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891440

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102895715) is 2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is NC(C(=O)N1CC2CCCC2C1C(=O)O)c1cccs1.
What is the InChIKey of 2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is IUJYTIPOEGZBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-11(10-5-2-6-20-10)13(17)16-7-8-3-1-4-9(8)12(16)14(18)19/h2,5-6,8-9,11-12H,1,3-4,7,15H2,(H,18,19).
What are the key properties of 2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102895715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).