2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid

C15H19NO5 — CID 23316617

IUPAC2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid
SMILESO=C(O)COCC1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c17-14(18)11-20-10-13-7-4-8-16(13)15(19)21-9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18)
InChIKeyNMKWJDZNWOYIIT-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.89
Rot. Bonds6

About 2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid

2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid (PubChem CID 23316617) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid
PubChem CID23316617
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid
SMILESO=C(O)COCC1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c17-14(18)11-20-10-13-7-4-8-16(13)15(19)21-9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18)
InChIKeyNMKWJDZNWOYIIT-UHFFFAOYSA-N
XLogP1.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid (CID 23316617) is 2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid is O=C(O)COCC1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of 2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid?
The InChIKey is NMKWJDZNWOYIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-14(18)11-20-10-13-7-4-8-16(13)15(19)21-9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18).
What are the key properties of 2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid?
2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid is sourced from PubChem (CID 23316617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).