2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid

C12H16N2O3S — CID 113278796

IUPAC2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(CC1CCNC1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C12H16N2O3S/c15-10(6-8-3-4-13-7-8)14-11(12(16)17)9-2-1-5-18-9/h1-2,5,8,11,13H,3-4,6-7H2,(H,14,15)(H,16,17)
InChIKeyXUYJTWJBWGJYDH-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.99
Rot. Bonds5

About 2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid

2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 113278796) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID113278796
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(CC1CCNC1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C12H16N2O3S/c15-10(6-8-3-4-13-7-8)14-11(12(16)17)9-2-1-5-18-9/h1-2,5,8,11,13H,3-4,6-7H2,(H,14,15)(H,16,17)
InChIKeyXUYJTWJBWGJYDH-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 104898505
2-piperidin-3-yl-N-(1-thiophen-2-ylpropyl)acetamide
CID 62676887
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 104898572
2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285275
2-(oxan-4-ylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285548
(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
CID 80750139
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid (CID 113278796) is 2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid is O=C(CC1CCNC1)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is XUYJTWJBWGJYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-10(6-8-3-4-13-7-8)14-11(12(16)17)9-2-1-5-18-9/h1-2,5,8,11,13H,3-4,6-7H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 268.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 113278796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).