(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide

C13H26N2O2 — CID 61163560

IUPAC(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C13H26N2O2/c1-4-11(5-2)15(9-10-17-3)13(16)12-7-6-8-14-12/h11-12,14H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyWQNQNQHXXXLUAJ-LBPRGKRZSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds7

About (2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide

(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide (PubChem CID 61163560) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide
PubChem CID61163560
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C13H26N2O2/c1-4-11(5-2)15(9-10-17-3)13(16)12-7-6-8-14-12/h11-12,14H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyWQNQNQHXXXLUAJ-LBPRGKRZSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-butan-2-yl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 103795441
N-(2-methoxyethyl)-4-methyl-N-pentan-3-ylpiperidine-2-carboxamide
CID 114423422
(2S)-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 68805915
2-[2-methoxyethyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869714
(2R)-N-(3-methoxypropyl)-N-methylpyrrolidine-2-carboxamide
CID 94912304
(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide
CID 61156228
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
CID 60947765
(3R)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81140494
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 63286424
(3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81140319
N-butyl-N-(2-methoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119322175
(2R)-N-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 93173809

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide (CID 61163560) is (2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide is CCC(CC)N(CCOC)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide?
The InChIKey is WQNQNQHXXXLUAJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11(5-2)15(9-10-17-3)13(16)12-7-6-8-14-12/h11-12,14H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide?
(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61163560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).