tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate

C16H22N2O4 — CID 107092066

IUPACtert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate
SMILESCOc1cncc(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-6-5-11(10-18)14(19)12-7-13(21-4)9-17-8-12/h7-9,11H,5-6,10H2,1-4H3
InChIKeyJVLPMXDJWOHPCM-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate

tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 107092066) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate
PubChem CID107092066
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nametert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate
SMILESCOc1cncc(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-6-5-11(10-18)14(19)12-7-13(21-4)9-17-8-12/h7-9,11H,5-6,10H2,1-4H3
InChIKeyJVLPMXDJWOHPCM-UHFFFAOYSA-N
XLogP2.53
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 140872433
methyl 5-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 69169990
tert-butyl (3R)-3-(4-bromobenzoyl)pyrrolidine-1-carboxylate
CID 124566348
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
CID 164888365
tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
CID 122359770
tert-butyl 3-(1-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092126
tert-butyl 3-(5-chloro-2-methoxybenzoyl)pyrrolidine-1-carboxylate
CID 107091953
tert-butyl 3-(2,6-difluorobenzoyl)pyrrolidine-1-carboxylate
CID 107091983
tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate
CID 107092130
tert-butyl 3-(4-chloro-1-methylpyrazole-5-carbonyl)pyrrolidine-1-carboxylate
CID 107092100

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate (CID 107092066) is tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate is COc1cncc(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is JVLPMXDJWOHPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-6-5-11(10-18)14(19)12-7-13(21-4)9-17-8-12/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).