lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate

C18H24LiN3O4 — CID 102447858

IUPAClithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1Cc1cccc(CN2CCC[C@H]2C(=O)[O-])n1.[Li+]
InChIInChI=1S/C18H25N3O4.Li/c1-25-18(24)16-8-4-10-21(16)12-14-6-2-5-13(19-14)11-20-9-3-7-15(20)17(22)23;/h2,5-6,15-16H,3-4,7-12H2,1H3,(H,22,23);/q;+1/p-1/t15-,16-;/m0./s1
InChIKeyCXVLDACJWHHATK-MOGJOVFKSA-M
MW353.35 g/mol
LogP-3.06
Rot. Bonds6

About lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate

lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate (PubChem CID 102447858) has the molecular formula C18H24LiN3O4 and a molecular weight of 353.35 g/mol. Its IUPAC name is lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namelithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate
PubChem CID102447858
Molecular FormulaC18H24LiN3O4
Molecular Weight353.35 g/mol
Exact Mass353.19
IUPAC Namelithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1Cc1cccc(CN2CCC[C@H]2C(=O)[O-])n1.[Li+]
InChIInChI=1S/C18H25N3O4.Li/c1-25-18(24)16-8-4-10-21(16)12-14-6-2-5-13(19-14)11-20-9-3-7-15(20)17(22)23;/h2,5-6,15-16H,3-4,7-12H2,1H3,(H,22,23);/q;+1/p-1/t15-,16-;/m0./s1
InChIKeyCXVLDACJWHHATK-MOGJOVFKSA-M
XLogP-3.06
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 5-3.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-[[3-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 63382595
methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62025948
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-2-carboxylate
CID 78915575
methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027103
methyl 1-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 84592566
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 62028427
methyl (2S)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 30980101

Frequently Asked Questions

What is the IUPAC name of lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate (CID 102447858) is lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1Cc1cccc(CN2CCC[C@H]2C(=O)[O-])n1.[Li+].
What is the InChIKey of lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is CXVLDACJWHHATK-MOGJOVFKSA-M. The full InChI is InChI=1S/C18H25N3O4.Li/c1-25-18(24)16-8-4-10-21(16)12-14-6-2-5-13(19-14)11-20-9-3-7-15(20)17(22)23;/h2,5-6,15-16H,3-4,7-12H2,1H3,(H,22,23);/q;+1/p-1/t15-,16-;/m0./s1.
What are the key properties of lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate?
lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 353.35 g/mol, XLogP of -3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 102447858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).