N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide

C11H20N2O4 — CID 79403744

IUPACN-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)10(17)12-4-9(16)13-5-7(14)8(15)6-13/h7-8,14-15H,4-6H2,1-3H3,(H,12,17)/t7-,8+
InChIKeyDQBLGTCQFMQIPM-OCAPTIKFSA-N
MW244.29 g/mol
LogP-1.29
Rot. Bonds2

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

N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 79403744) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID79403744
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC NameN-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)10(17)12-4-9(16)13-5-7(14)8(15)6-13/h7-8,14-15H,4-6H2,1-3H3,(H,12,17)/t7-,8+
InChIKeyDQBLGTCQFMQIPM-OCAPTIKFSA-N
XLogP-1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 93040618
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone
CID 107220659
2,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 47009992
2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide
CID 95905898
2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 107220699
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
CID 120745404
N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-2,2-dimethylpropanamide
CID 113249227
N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 119779313
N-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 86996669
2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103782621
N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 96537717
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31605288

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide (CID 79403744) is N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is DQBLGTCQFMQIPM-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)10(17)12-4-9(16)13-5-7(14)8(15)6-13/h7-8,14-15H,4-6H2,1-3H3,(H,12,17)/t7-,8+.
What are the key properties of N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 244.29 g/mol, XLogP of -1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 79403744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).