(2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine

C10H21NO2 — CID 99994884

IUPAC(2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine
SMILESCOCCO[C@@H]1CN[C@@H](C(C)C)C1
InChIInChI=1S/C10H21NO2/c1-8(2)10-6-9(7-11-10)13-5-4-12-3/h8-11H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyHMXSKQOVDHILHW-VHSXEESVSA-N
MW187.28 g/mol
LogP1.04
Rot. Bonds5

About (2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine

(2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine (PubChem CID 99994884) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine
PubChem CID99994884
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine
SMILESCOCCO[C@@H]1CN[C@@H](C(C)C)C1
InChIInChI=1S/C10H21NO2/c1-8(2)10-6-9(7-11-10)13-5-4-12-3/h8-11H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyHMXSKQOVDHILHW-VHSXEESVSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-4-(3-methylbutoxy)-2-propan-2-ylpyrrolidine
CID 99994737
(2S,4S)-4-butoxy-2-propan-2-ylpyrrolidine
CID 99994491
(2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine
CID 99994836
(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine
CID 99994845
2-propan-2-yl-4-propan-2-yloxypyrrolidine
CID 102568611
4-phenylmethoxy-2-propan-2-ylpyrrolidine
CID 23588974
4-chloro-2-propan-2-ylpyrrolidine
CID 57194376
3-(2-methoxyethoxy)pyrrolidine
CID 18337162
1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64840397
5-(methoxymethyl)-2-propan-2-ylpiperidine
CID 105434920
4,5-dimethyl-2-propan-2-ylpiperidine
CID 59968909
2-methoxyethoxycyclohexane
CID 20550469

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine?
The IUPAC name of (2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine (CID 99994884) is (2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine is COCCO[C@@H]1CN[C@@H](C(C)C)C1.
What is the InChIKey of (2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine?
The InChIKey is HMXSKQOVDHILHW-VHSXEESVSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)10-6-9(7-11-10)13-5-4-12-3/h8-11H,4-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine?
(2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 99994884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).