methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate

C21H24N2O3 — CID 166207920

IUPACmethyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CN2CC(c3ccccc3)CC2C)c1
InChIInChI=1S/C21H24N2O3/c1-15-11-18(16-7-4-3-5-8-16)13-23(15)14-20(24)22-19-10-6-9-17(12-19)21(25)26-2/h3-10,12,15,18H,11,13-14H2,1-2H3,(H,22,24)
InChIKeyYMCVVDICRVHDRQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.29
Rot. Bonds5

About methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate

methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate (PubChem CID 166207920) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate
PubChem CID166207920
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namemethyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CN2CC(c3ccccc3)CC2C)c1
InChIInChI=1S/C21H24N2O3/c1-15-11-18(16-7-4-3-5-8-16)13-23(15)14-20(24)22-19-10-6-9-17(12-19)21(25)26-2/h3-10,12,15,18H,11,13-14H2,1-2H3,(H,22,24)
InChIKeyYMCVVDICRVHDRQ-UHFFFAOYSA-N
XLogP3.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]amino]benzoate
CID 124628761
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-[[2-[(3aR,4S,6aS)-2-benzyl-4-(hydroxymethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]acetyl]amino]benzoate;2,2,2-trifluoroacetic acid
CID 167824212
methyl 3-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]benzoate
CID 51531165
methyl 3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoate
CID 31321337
methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 31628376
methyl 3-[[3-(benzylamino)-3-oxopropanoyl]amino]benzoate
CID 108945310
methyl 3-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 112999894
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate (CID 166207920) is methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)CN2CC(c3ccccc3)CC2C)c1.
What is the InChIKey of methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate?
The InChIKey is YMCVVDICRVHDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-11-18(16-7-4-3-5-8-16)13-23(15)14-20(24)22-19-10-6-9-17(12-19)21(25)26-2/h3-10,12,15,18H,11,13-14H2,1-2H3,(H,22,24).
What are the key properties of methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate?
methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate has a molecular weight of 352.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methyl-4-phenylpyrrolidin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 166207920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).