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

C11H22N2O3 — CID 79411155

IUPAC2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H22N2O3/c1-4-11(2,3)12-10(16)7-13-5-8(14)9(15)6-13/h8-9,14-15H,4-7H2,1-3H3,(H,12,16)/t8-,9+
InChIKeyNDEXMOYIDKTDTD-DTORHVGOSA-N
MW230.31 g/mol
LogP-0.67
Rot. Bonds4

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

2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 79411155) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID79411155
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H22N2O3/c1-4-11(2,3)12-10(16)7-13-5-8(14)9(15)6-13/h8-9,14-15H,4-7H2,1-3H3,(H,12,16)/t8-,9+
InChIKeyNDEXMOYIDKTDTD-DTORHVGOSA-N
XLogP-0.67
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
2-(3-hydroxypyrrolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62918018
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60916171
2-(3-hydroxypiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60672191
(3S,4S)-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953850
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide
CID 106672092
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 63101713
2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62655401
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide
CID 102938967
methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60672509
2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 114507947
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119928203

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 79411155) is 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is NDEXMOYIDKTDTD-DTORHVGOSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-11(2,3)12-10(16)7-13-5-8(14)9(15)6-13/h8-9,14-15H,4-7H2,1-3H3,(H,12,16)/t8-,9+.
What are the key properties of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 230.31 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79411155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).