methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate

C15H24N2O3 — CID 79607684

IUPACmethyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H24N2O3/c1-20-15(19)13-3-2-6-17(13)14(18)9-10-7-11-4-5-12(8-10)16-11/h10-13,16H,2-9H2,1H3
InChIKeyMMAWGSXWCPXZAQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.07
Rot. Bonds3

About methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate

methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 79607684) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID79607684
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H24N2O3/c1-20-15(19)13-3-2-6-17(13)14(18)9-10-7-11-4-5-12(8-10)16-11/h10-13,16H,2-9H2,1H3
InChIKeyMMAWGSXWCPXZAQ-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 119728138
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-2-carboxamide
CID 79607257
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79614899
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791314
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119791313
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate
CID 54870307
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone
CID 119809602
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 119700970
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
CID 112603577
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate (CID 79607684) is methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is MMAWGSXWCPXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-20-15(19)13-3-2-6-17(13)14(18)9-10-7-11-4-5-12(8-10)16-11/h10-13,16H,2-9H2,1H3.
What are the key properties of methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 79607684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).