(3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide

C14H26N2O6 — CID 11290113

IUPAC(3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide
SMILESCOCCOCC(=O)N1C[C@H](O)[C@@H](O)C1C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N2O6/c1-14(2,3)15-13(20)11-12(19)9(17)7-16(11)10(18)8-22-6-5-21-4/h9,11-12,17,19H,5-8H2,1-4H3,(H,15,20)/t9-,11?,12+/m0/s1
InChIKeyUWWNSOIXKLWJLG-VSJGMXPKSA-N
MW318.37 g/mol
LogP-1.50
Rot. Bonds6

About (3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide

(3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide (PubChem CID 11290113) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is (3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide
PubChem CID11290113
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name(3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide
SMILESCOCCOCC(=O)N1C[C@H](O)[C@@H](O)C1C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N2O6/c1-14(2,3)15-13(20)11-12(19)9(17)7-16(11)10(18)8-22-6-5-21-4/h9,11-12,17,19H,5-8H2,1-4H3,(H,15,20)/t9-,11?,12+/m0/s1
InChIKeyUWWNSOIXKLWJLG-VSJGMXPKSA-N
XLogP-1.50
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S)-N-tert-butyl-1-hex-5-enoyl-3,4-dihydroxypyrrolidine-2-carboxamide
CID 11289519
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601586
N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide
CID 138656709
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146641
2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 103709661
(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198236
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 66261434
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide (CID 11290113) is (3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide is COCCOCC(=O)N1C[C@H](O)[C@@H](O)C1C(=O)NC(C)(C)C.
What is the InChIKey of (3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is UWWNSOIXKLWJLG-VSJGMXPKSA-N. The full InChI is InChI=1S/C14H26N2O6/c1-14(2,3)15-13(20)11-12(19)9(17)7-16(11)10(18)8-22-6-5-21-4/h9,11-12,17,19H,5-8H2,1-4H3,(H,15,20)/t9-,11?,12+/m0/s1.
What are the key properties of (3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide?
(3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of -1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-tert-butyl-3,4-dihydroxy-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11290113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).