methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate

C10H19NO2 — CID 142507382

IUPACmethyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate
SMILESCC[C@H]1C[C@@H](C(=O)OC)N[C@H]1CC
InChIInChI=1S/C10H19NO2/c1-4-7-6-9(10(12)13-3)11-8(7)5-2/h7-9,11H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
InChIKeyLATZZXHQVYWEFM-CIUDSAMLSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds3

About methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate

methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate (PubChem CID 142507382) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate
PubChem CID142507382
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate
SMILESCC[C@H]1C[C@@H](C(=O)OC)N[C@H]1CC
InChIInChI=1S/C10H19NO2/c1-4-7-6-9(10(12)13-3)11-8(7)5-2/h7-9,11H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
InChIKeyLATZZXHQVYWEFM-CIUDSAMLSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate
CID 161432755
methyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 43811016
3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid
CID 21351497
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl 2-ethyl-5-methylpiperidine-3-carboxylate
CID 83915219
methyl 4-ethyl-5-sulfanylidenepyrrolidine-2-carboxylate
CID 102056292
methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate
CID 170364847
methyl 3-propylcyclobutane-1-carboxylate
CID 97034582
methyl 5-propylpyrazolidine-3-carboxylate
CID 170069349
methyl (2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 89197432
methyl 6-methylpiperidine-2-carboxylate
CID 13205605
methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate
CID 178103396

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate (CID 142507382) is methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate is CC[C@H]1C[C@@H](C(=O)OC)N[C@H]1CC.
What is the InChIKey of methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate?
The InChIKey is LATZZXHQVYWEFM-CIUDSAMLSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-6-9(10(12)13-3)11-8(7)5-2/h7-9,11H,4-6H2,1-3H3/t7-,8-,9-/m0/s1.
What are the key properties of methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate?
methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 142507382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).