2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid

C13H22N2O4 — CID 114106684

IUPAC2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCC1OCCC1CNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C13H22N2O4/c1-9-10(4-6-19-9)8-14-13(18)15-5-2-3-11(15)7-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyPFXJNXJYCCPWOI-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds4

About 2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 114106684) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID114106684
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCC1OCCC1CNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C13H22N2O4/c1-9-10(4-6-19-9)8-14-13(18)15-5-2-3-11(15)7-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyPFXJNXJYCCPWOI-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid (CID 114106684) is 2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid is CC1OCCC1CNC(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is PFXJNXJYCCPWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-10(4-6-19-9)8-14-13(18)15-5-2-3-11(15)7-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 114106684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).