2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid

C12H17N3O3S — CID 63825245

IUPAC2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)NCCc1cscn1
InChIInChI=1S/C12H17N3O3S/c16-11(17)6-10-2-1-5-15(10)12(18)13-4-3-9-7-19-8-14-9/h7-8,10H,1-6H2,(H,13,18)(H,16,17)
InChIKeyAMIPRYYBCQVSRF-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.33
Rot. Bonds5

About 2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 63825245) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID63825245
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)NCCc1cscn1
InChIInChI=1S/C12H17N3O3S/c16-11(17)6-10-2-1-5-15(10)12(18)13-4-3-9-7-19-8-14-9/h7-8,10H,1-6H2,(H,13,18)(H,16,17)
InChIKeyAMIPRYYBCQVSRF-UHFFFAOYSA-N
XLogP1.33
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid (CID 63825245) is 2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)NCCc1cscn1.
What is the InChIKey of 2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is AMIPRYYBCQVSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c16-11(17)6-10-2-1-5-15(10)12(18)13-4-3-9-7-19-8-14-9/h7-8,10H,1-6H2,(H,13,18)(H,16,17).
What are the key properties of 2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 63825245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).