methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate

C15H18N2O4 — CID 110754583

IUPACmethyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H18N2O4/c1-10(18)11-5-7-12(8-6-11)16-14(19)13-4-3-9-17(13)15(20)21-2/h5-8,13H,3-4,9H2,1-2H3,(H,16,19)
InChIKeyLPNMOCRRBIMXIZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.06
Rot. Bonds3

About methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate

methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 110754583) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID110754583
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H18N2O4/c1-10(18)11-5-7-12(8-6-11)16-14(19)13-4-3-9-17(13)15(20)21-2/h5-8,13H,3-4,9H2,1-2H3,(H,16,19)
InChIKeyLPNMOCRRBIMXIZ-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814291
methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754545
methyl (2S)-2-[(4-ethylsulfonylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 95322819
2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3230233
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid
CID 134210075
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
tert-butyl (2R)-2-[(4-carbamoylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 8023967
methyl 4-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 110343966
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 110754583) is methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate is COC(=O)N1CCCC1C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is LPNMOCRRBIMXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)11-5-7-12(8-6-11)16-14(19)13-4-3-9-17(13)15(20)21-2/h5-8,13H,3-4,9H2,1-2H3,(H,16,19).
What are the key properties of methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 110754583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).