2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid

C11H17N5O3 — CID 55038205

IUPAC2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCn1cnnc1CNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C11H17N5O3/c1-15-7-13-14-9(15)6-12-11(19)16-4-2-3-8(16)5-10(17)18/h7-8H,2-6H2,1H3,(H,12,19)(H,17,18)
InChIKeyKSNLKUVSPPHVJY-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.04
Rot. Bonds4

About 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 55038205) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID55038205
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCn1cnnc1CNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C11H17N5O3/c1-15-7-13-14-9(15)6-12-11(19)16-4-2-3-8(16)5-10(17)18/h7-8H,2-6H2,1H3,(H,12,19)(H,17,18)
InChIKeyKSNLKUVSPPHVJY-UHFFFAOYSA-N
XLogP-0.04
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid (CID 55038205) is 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid is Cn1cnnc1CNC(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is KSNLKUVSPPHVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-15-7-13-14-9(15)6-12-11(19)16-4-2-3-8(16)5-10(17)18/h7-8H,2-6H2,1H3,(H,12,19)(H,17,18).
What are the key properties of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 267.29 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 55038205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).