methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate

C13H18N2O3 — CID 162523165

IUPACmethyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate
SMILESCOC(=O)c1ccc(NC2CCN(OC)C2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-13(16)10-3-5-11(6-4-10)14-12-7-8-15(9-12)18-2/h3-6,12,14H,7-9H2,1-2H3
InChIKeyUCLQXEZFOXMWSN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.52
Rot. Bonds4

About methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate

methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate (PubChem CID 162523165) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate
PubChem CID162523165
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate
SMILESCOC(=O)c1ccc(NC2CCN(OC)C2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-13(16)10-3-5-11(6-4-10)14-12-7-8-15(9-12)18-2/h3-6,12,14H,7-9H2,1-2H3
InChIKeyUCLQXEZFOXMWSN-UHFFFAOYSA-N
XLogP1.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
CID 43774274
methyl 4-[(3R)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]benzoate
CID 25275922
methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43321731
methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate
CID 70498190
methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24792970
ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate
CID 43774396
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate
CID 62980774
methyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate
CID 3359332
tert-butyl 3-(4-methoxyanilino)pyrrolidine-1-carboxylate
CID 11150503
methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62654527

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate?
The IUPAC name of methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate (CID 162523165) is methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate is COC(=O)c1ccc(NC2CCN(OC)C2)cc1.
What is the InChIKey of methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate?
The InChIKey is UCLQXEZFOXMWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-13(16)10-3-5-11(6-4-10)14-12-7-8-15(9-12)18-2/h3-6,12,14H,7-9H2,1-2H3.
What are the key properties of methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate?
methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate has a molecular weight of 250.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate is sourced from PubChem (CID 162523165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).