(3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide

C11H22N2O3 — CID 106247472

IUPAC(3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide
SMILESCOCC(O)CCNC(=O)[C@@H]1CNC[C@H]1C
InChIInChI=1S/C11H22N2O3/c1-8-5-12-6-10(8)11(15)13-4-3-9(14)7-16-2/h8-10,12,14H,3-7H2,1-2H3,(H,13,15)/t8-,9?,10-/m1/s1
InChIKeyMCZLNAPHLFIIAT-RCAUJQPQSA-N
MW230.31 g/mol
LogP-0.64
Rot. Bonds6

About (3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide

(3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 106247472) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID106247472
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide
SMILESCOCC(O)CCNC(=O)[C@@H]1CNC[C@H]1C
InChIInChI=1S/C11H22N2O3/c1-8-5-12-6-10(8)11(15)13-4-3-9(14)7-16-2/h8-10,12,14H,3-7H2,1-2H3,(H,13,15)/t8-,9?,10-/m1/s1
InChIKeyMCZLNAPHLFIIAT-RCAUJQPQSA-N
XLogP-0.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide
CID 106247563
(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide
CID 106247580
(3S,4S)-4-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-3-carboxamide
CID 114137023
N-(3-hydroxy-4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 106832212
N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
CID 63715754
N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103877346
4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide
CID 63959724
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
N-(4-amino-4-oxobutyl)-4-methylpyrrolidine-3-carboxamide
CID 63714298
2-cyclopropyl-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877567
N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide
CID 103876947
N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide
CID 103876916

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide (CID 106247472) is (3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide is COCC(O)CCNC(=O)[C@@H]1CNC[C@H]1C.
What is the InChIKey of (3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is MCZLNAPHLFIIAT-RCAUJQPQSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8-5-12-6-10(8)11(15)13-4-3-9(14)7-16-2/h8-10,12,14H,3-7H2,1-2H3,(H,13,15)/t8-,9?,10-/m1/s1.
What are the key properties of (3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106247472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).