methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate

C16H24N2O2 — CID 97080771

IUPACmethyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate
SMILESCOC(=O)[C@H](c1cccnc1)N1CC[C@@H](CC(C)C)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)9-13-6-8-18(11-13)15(16(19)20-3)14-5-4-7-17-10-14/h4-5,7,10,12-13,15H,6,8-9,11H2,1-3H3/t13-,15-/m0/s1
InChIKeyGFJVMKGFQXSCRD-ZFWWWQNUSA-N
MW276.38 g/mol
LogP2.66
Rot. Bonds5

About methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate

methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate (PubChem CID 97080771) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate
PubChem CID97080771
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate
SMILESCOC(=O)[C@H](c1cccnc1)N1CC[C@@H](CC(C)C)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)9-13-6-8-18(11-13)15(16(19)20-3)14-5-4-7-17-10-14/h4-5,7,10,12-13,15H,6,8-9,11H2,1-3H3/t13-,15-/m0/s1
InChIKeyGFJVMKGFQXSCRD-ZFWWWQNUSA-N
XLogP2.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 61208112
methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridin-3-ylacetate
CID 97062459
ethyl 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-pyridin-3-ylacetate
CID 59570519
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618
[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol
CID 112624351
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
1-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(1-pyridin-3-ylethyl)urea
CID 56827109
1-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95598516
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
CID 117241306
4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
CID 81344365
2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
CID 114797039

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate?
The IUPAC name of methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate (CID 97080771) is methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate.
What is the SMILES notation for methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate?
The canonical SMILES for methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate is COC(=O)[C@H](c1cccnc1)N1CC[C@@H](CC(C)C)C1.
What is the InChIKey of methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate?
The InChIKey is GFJVMKGFQXSCRD-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)9-13-6-8-18(11-13)15(16(19)20-3)14-5-4-7-17-10-14/h4-5,7,10,12-13,15H,6,8-9,11H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate?
methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate has a molecular weight of 276.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate is sourced from PubChem (CID 97080771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).