methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate

C16H20N2O4 — CID 124727916

IUPACmethyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C(=O)c1ccnc(OCC2CC2)c1
InChIInChI=1S/C16H20N2O4/c1-21-16(20)13-3-2-8-18(13)15(19)12-6-7-17-14(9-12)22-10-11-4-5-11/h6-7,9,11,13H,2-5,8,10H2,1H3/t13-/m1/s1
InChIKeyVYGBHFZPNZPKHD-CYBMUJFWSA-N
MW304.35 g/mol
LogP1.65
Rot. Bonds5

About methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate

methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 124727916) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate
PubChem CID124727916
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C(=O)c1ccnc(OCC2CC2)c1
InChIInChI=1S/C16H20N2O4/c1-21-16(20)13-3-2-8-18(13)15(19)12-6-7-17-14(9-12)22-10-11-4-5-11/h6-7,9,11,13H,2-5,8,10H2,1H3/t13-/m1/s1
InChIKeyVYGBHFZPNZPKHD-CYBMUJFWSA-N
XLogP1.65
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate
CID 112531565
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537390
1-(2-cyclohexyloxypyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 126790565
methyl (2S)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxylate
CID 118147856
tert-butyl (3S)-4-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]-3-methylpiperazine-1-carboxylate
CID 124876680
methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410118

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate (CID 124727916) is methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1C(=O)c1ccnc(OCC2CC2)c1.
What is the InChIKey of methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate?
The InChIKey is VYGBHFZPNZPKHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-21-16(20)13-3-2-8-18(13)15(19)12-6-7-17-14(9-12)22-10-11-4-5-11/h6-7,9,11,13H,2-5,8,10H2,1H3/t13-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate?
methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 124727916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).