methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate

C16H20N2O3 — CID 146299197

IUPACmethyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate
SMILESCOC(=O)c1ccc(C2(NC(=O)C3CCCN3)CC2)cc1
InChIInChI=1S/C16H20N2O3/c1-21-15(20)11-4-6-12(7-5-11)16(8-9-16)18-14(19)13-3-2-10-17-13/h4-7,13,17H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyOUCVFPIKEVQFLP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.33
Rot. Bonds4

About methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate

methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate (PubChem CID 146299197) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate
PubChem CID146299197
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate
SMILESCOC(=O)c1ccc(C2(NC(=O)C3CCCN3)CC2)cc1
InChIInChI=1S/C16H20N2O3/c1-21-15(20)11-4-6-12(7-5-11)16(8-9-16)18-14(19)13-3-2-10-17-13/h4-7,13,17H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyOUCVFPIKEVQFLP-UHFFFAOYSA-N
XLogP1.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate 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 4-[1-[[(2S)-4,4-dimethylpiperidine-2-carbonyl]amino]cyclopropyl]benzoate
CID 124645144
N-[1-(4-fluorophenyl)cyclobutyl]pyrrolidine-2-carboxamide
CID 110461393
N-[1-(3-fluorophenyl)cyclopropyl]piperidine-2-carboxamide
CID 110482396
tert-butyl (2R)-2-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]piperidine-1-carboxylate
CID 86731619
methyl 4-[(2R)-4-oxo-4-[(2R)-pyrrolidin-2-yl]butan-2-yl]benzoate;hydrochloride
CID 158995098
methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate
CID 118564830
methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate
CID 103920674
methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate
CID 69333583
dimethyl 5-(piperidine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119263110
methyl 4-(1-hydroxycyclopentyl)benzoate
CID 130120514
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate?
The IUPAC name of methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate (CID 146299197) is methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate.
What is the SMILES notation for methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate?
The canonical SMILES for methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate is COC(=O)c1ccc(C2(NC(=O)C3CCCN3)CC2)cc1.
What is the InChIKey of methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate?
The InChIKey is OUCVFPIKEVQFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-15(20)11-4-6-12(7-5-11)16(8-9-16)18-14(19)13-3-2-10-17-13/h4-7,13,17H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate?
methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate has a molecular weight of 288.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(pyrrolidine-2-carbonylamino)cyclopropyl]benzoate is sourced from PubChem (CID 146299197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).