(2R,4S)-2-butyl-4-methoxypyrrolidine

C9H19NO — CID 99994244

IUPAC(2R,4S)-2-butyl-4-methoxypyrrolidine
SMILESCCCC[C@@H]1C[C@H](OC)CN1
InChIInChI=1S/C9H19NO/c1-3-4-5-8-6-9(11-2)7-10-8/h8-10H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyBBEGDQUMGSRNDB-BDAKNGLRSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds4

About (2R,4S)-2-butyl-4-methoxypyrrolidine

(2R,4S)-2-butyl-4-methoxypyrrolidine (PubChem CID 99994244) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2R,4S)-2-butyl-4-methoxypyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-butyl-4-methoxypyrrolidine
PubChem CID99994244
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2R,4S)-2-butyl-4-methoxypyrrolidine
SMILESCCCC[C@@H]1C[C@H](OC)CN1
InChIInChI=1S/C9H19NO/c1-3-4-5-8-6-9(11-2)7-10-8/h8-10H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyBBEGDQUMGSRNDB-BDAKNGLRSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-2-butyl-4-ethoxypyrrolidine
CID 99994328
(2R,4S)-4-butoxy-2-butylpyrrolidine
CID 99994485
2-[(2R,4S)-4-methoxypyrrolidin-2-yl]ethanol
CID 155821329
(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine
CID 99994645
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
4-butoxy-2-propylpyrrolidine
CID 102568603
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine
CID 61215107
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile
CID 118498498

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-butyl-4-methoxypyrrolidine?
The IUPAC name of (2R,4S)-2-butyl-4-methoxypyrrolidine (CID 99994244) is (2R,4S)-2-butyl-4-methoxypyrrolidine.
What is the SMILES notation for (2R,4S)-2-butyl-4-methoxypyrrolidine?
The canonical SMILES for (2R,4S)-2-butyl-4-methoxypyrrolidine is CCCC[C@@H]1C[C@H](OC)CN1.
What is the InChIKey of (2R,4S)-2-butyl-4-methoxypyrrolidine?
The InChIKey is BBEGDQUMGSRNDB-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-8-6-9(11-2)7-10-8/h8-10H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2R,4S)-2-butyl-4-methoxypyrrolidine?
(2R,4S)-2-butyl-4-methoxypyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-butyl-4-methoxypyrrolidine is sourced from PubChem (CID 99994244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).