methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate

C18H25NO5 — CID 127267504

IUPACmethyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate
SMILESCOC(=O)CC1CCCN1C(=O)CC(O)COCc1ccccc1
InChIInChI=1S/C18H25NO5/c1-23-18(22)10-15-8-5-9-19(15)17(21)11-16(20)13-24-12-14-6-3-2-4-7-14/h2-4,6-7,15-16,20H,5,8-13H2,1H3
InChIKeyNAXNHQZJQFZUIB-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.51
Rot. Bonds8

About methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate

methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate (PubChem CID 127267504) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate
PubChem CID127267504
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Namemethyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate
SMILESCOC(=O)CC1CCCN1C(=O)CC(O)COCc1ccccc1
InChIInChI=1S/C18H25NO5/c1-23-18(22)10-15-8-5-9-19(15)17(21)11-16(20)13-24-12-14-6-3-2-4-7-14/h2-4,6-7,15-16,20H,5,8-13H2,1H3
InChIKeyNAXNHQZJQFZUIB-UHFFFAOYSA-N
XLogP1.51
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate (CID 127267504) is methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate is COC(=O)CC1CCCN1C(=O)CC(O)COCc1ccccc1.
What is the InChIKey of methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate?
The InChIKey is NAXNHQZJQFZUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-23-18(22)10-15-8-5-9-19(15)17(21)11-16(20)13-24-12-14-6-3-2-4-7-14/h2-4,6-7,15-16,20H,5,8-13H2,1H3.
What are the key properties of methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate?
methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate has a molecular weight of 335.40 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-hydroxy-4-phenylmethoxybutanoyl)pyrrolidin-2-yl]acetate is sourced from PubChem (CID 127267504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).