2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid

C13H13N3O3S — CID 107340921

IUPAC2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid
SMILESNC(C(=O)Nc1ccc(CC(=O)O)nc1)c1cccs1
InChIInChI=1S/C13H13N3O3S/c14-12(10-2-1-5-20-10)13(19)16-9-4-3-8(15-7-9)6-11(17)18/h1-5,7,12H,6,14H2,(H,16,19)(H,17,18)
InChIKeyOGHRRBFUIZIZDR-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.41
Rot. Bonds5

About 2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid

2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107340921) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid
PubChem CID107340921
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid
SMILESNC(C(=O)Nc1ccc(CC(=O)O)nc1)c1cccs1
InChIInChI=1S/C13H13N3O3S/c14-12(10-2-1-5-20-10)13(19)16-9-4-3-8(15-7-9)6-11(17)18/h1-5,7,12H,6,14H2,(H,16,19)(H,17,18)
InChIKeyOGHRRBFUIZIZDR-UHFFFAOYSA-N
XLogP1.41
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-pyridinyl]acetic acid
CID 107341049
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
2-amino-N-(4-fluorophenyl)-2-thiophen-2-ylacetamide
CID 115285922
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-(2-aminopent-4-ynoylamino)-2-pyridinyl]acetic acid
CID 107341014
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238
2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 114049418
2-amino-2-thiophen-2-yl-N-thiophen-3-ylacetamide
CID 115287455
1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one
CID 116601689
2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 115286247
2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid
CID 107339173

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid (CID 107340921) is 2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid is NC(C(=O)Nc1ccc(CC(=O)O)nc1)c1cccs1.
What is the InChIKey of 2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is OGHRRBFUIZIZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-12(10-2-1-5-20-10)13(19)16-9-4-3-8(15-7-9)6-11(17)18/h1-5,7,12H,6,14H2,(H,16,19)(H,17,18).
What are the key properties of 2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 291.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).