(2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine

C10H21NO — CID 99994354

IUPAC(2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine
SMILESCCO[C@@H]1CN[C@H](CC(C)C)C1
InChIInChI=1S/C10H21NO/c1-4-12-10-6-9(11-7-10)5-8(2)3/h8-11H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyHSEDAGVKGYKHNF-ZJUUUORDSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About (2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine

(2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine (PubChem CID 99994354) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine
PubChem CID99994354
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine
SMILESCCO[C@@H]1CN[C@H](CC(C)C)C1
InChIInChI=1S/C10H21NO/c1-4-12-10-6-9(11-7-10)5-8(2)3/h8-11H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyHSEDAGVKGYKHNF-ZJUUUORDSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99994966
(2S,4S)-4-ethoxy-2-propylpyrrolidine
CID 99994308
(2S,4R)-2-butyl-4-ethoxypyrrolidine
CID 99994328
3-ethoxyazetidine
CID 22507733
(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine
CID 99994645
1-ethoxy-2-(2-methylpropyl)cyclopropane
CID 158408023
(2S,4R)-2-ethyl-4-propoxypyrrolidine
CID 99994381
tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate
CID 165444188
cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane
CID 10261806
(2S,4S)-4-butoxy-2-ethylpyrrolidine
CID 99994451
(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine
CID 99994845
5-ethoxy-2-(methoxymethoxymethyl)piperidine
CID 171842461

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of (2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine (CID 99994354) is (2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine is CCO[C@@H]1CN[C@H](CC(C)C)C1.
What is the InChIKey of (2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine?
The InChIKey is HSEDAGVKGYKHNF-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-12-10-6-9(11-7-10)5-8(2)3/h8-11H,4-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine?
(2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 99994354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).