2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid

C15H19NO4 — CID 176893436

IUPAC2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid
SMILESCOC1CC(C(=O)Cc2ccccc2)N(CC(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-20-12-8-13(16(9-12)10-15(18)19)14(17)7-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,19)
InChIKeySRBWOPNVNGUQRJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.97
Rot. Bonds6

About 2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid

2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid (PubChem CID 176893436) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid
PubChem CID176893436
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid
SMILESCOC1CC(C(=O)Cc2ccccc2)N(CC(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-20-12-8-13(16(9-12)10-15(18)19)14(17)7-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,19)
InChIKeySRBWOPNVNGUQRJ-UHFFFAOYSA-N
XLogP0.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid (CID 176893436) is 2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid is COC1CC(C(=O)Cc2ccccc2)N(CC(=O)O)C1.
What is the InChIKey of 2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is SRBWOPNVNGUQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-12-8-13(16(9-12)10-15(18)19)14(17)7-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid?
2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 176893436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).