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

C16H22N2O3 — CID 110754545

IUPACmethyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)12-6-8-13(9-7-12)17-15(19)14-5-4-10-18(14)16(20)21-3/h6-9,11,14H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyIINAOHRYIWWUHU-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.98
Rot. Bonds3

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

methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 110754545) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID110754545
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)12-6-8-13(9-7-12)17-15(19)14-5-4-10-18(14)16(20)21-3/h6-9,11,14H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyIINAOHRYIWWUHU-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754583
methyl (2S)-2-[(4-ethylsulfonylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 95322819
(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 59908765
methyl 2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754548
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
CID 169160570
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
methyl N-[(2S)-1-[(2S)-2-[[4-[(2R,5R)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59616735
methyl 2-[(2-bromophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754602
methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 95570941
tert-butyl (2S)-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 39683346

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 110754545) is methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate is COC(=O)N1CCCC1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is IINAOHRYIWWUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)12-6-8-13(9-7-12)17-15(19)14-5-4-10-18(14)16(20)21-3/h6-9,11,14H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 110754545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).