methyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate

C22H24N2O5 — CID 134802955

IUPACmethyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCN1C(=O)c1cccc(-c2cccc(OC)c2)c1
InChIInChI=1S/C22H24N2O5/c1-28-18-9-4-7-16(13-18)15-6-3-8-17(12-15)22(27)24-11-5-10-19(24)21(26)23-14-20(25)29-2/h3-4,6-9,12-13,19H,5,10-11,14H2,1-2H3,(H,23,26)
InChIKeyRBCRVKIQROMFRH-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.26
Rot. Bonds6

About methyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate

methyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate (PubChem CID 134802955) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is methyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate
PubChem CID134802955
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Namemethyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCN1C(=O)c1cccc(-c2cccc(OC)c2)c1
InChIInChI=1S/C22H24N2O5/c1-28-18-9-4-7-16(13-18)15-6-3-8-17(12-15)22(27)24-11-5-10-19(24)21(26)23-14-20(25)29-2/h3-4,6-9,12-13,19H,5,10-11,14H2,1-2H3,(H,23,26)
InChIKeyRBCRVKIQROMFRH-UHFFFAOYSA-N
XLogP2.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.26
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-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate (CID 134802955) is methyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)C1CCCN1C(=O)c1cccc(-c2cccc(OC)c2)c1.
What is the InChIKey of methyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is RBCRVKIQROMFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-28-18-9-4-7-16(13-18)15-6-3-8-17(12-15)22(27)24-11-5-10-19(24)21(26)23-14-20(25)29-2/h3-4,6-9,12-13,19H,5,10-11,14H2,1-2H3,(H,23,26).
What are the key properties of methyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate?
methyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 396.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 134802955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).