2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide

C10H20N2O4 — CID 79410145

IUPAC2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H20N2O4/c1-16-4-2-3-11-10(15)7-12-5-8(13)9(14)6-12/h8-9,13-14H,2-7H2,1H3,(H,11,15)/t8-,9+
InChIKeyAMIHZROFZMCTGN-DTORHVGOSA-N
MW232.28 g/mol
LogP-1.82
Rot. Bonds6

About 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide

2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 79410145) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID79410145
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H20N2O4/c1-16-4-2-3-11-10(15)7-12-5-8(13)9(14)6-12/h8-9,13-14H,2-7H2,1H3,(H,11,15)/t8-,9+
InChIKeyAMIHZROFZMCTGN-DTORHVGOSA-N
XLogP-1.82
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxypropyl)acetamide
CID 78787184
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 71872029
2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 54956649
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 94209171
2-[2-(hydroxymethyl)morpholin-4-yl]-N-(3-methoxypropyl)acetamide
CID 79840477
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide
CID 106672092
N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
CID 63810814

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide (CID 79410145) is 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is AMIHZROFZMCTGN-DTORHVGOSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-16-4-2-3-11-10(15)7-12-5-8(13)9(14)6-12/h8-9,13-14H,2-7H2,1H3,(H,11,15)/t8-,9+.
What are the key properties of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 232.28 g/mol, XLogP of -1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 79410145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).