N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide

C13H26N2O2 — CID 114282302

IUPACN-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)N(C)[C@H]1CNC[C@@H]1O)C(C)C
InChIInChI=1S/C13H26N2O2/c1-8(2)12(9(3)4)13(17)15(5)10-6-14-7-11(10)16/h8-12,14,16H,6-7H2,1-5H3/t10-,11-/m0/s1
InChIKeyYQXHWEUMIXIPPT-QWRGUYRKSA-N
MW242.36 g/mol
LogP0.71
Rot. Bonds4

About N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide

N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 114282302) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID114282302
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)N(C)[C@H]1CNC[C@@H]1O)C(C)C
InChIInChI=1S/C13H26N2O2/c1-8(2)12(9(3)4)13(17)15(5)10-6-14-7-11(10)16/h8-12,14,16H,6-7H2,1-5H3/t10-,11-/m0/s1
InChIKeyYQXHWEUMIXIPPT-QWRGUYRKSA-N
XLogP0.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide
CID 82987791
(3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol
CID 122236823
2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide
CID 131067305
N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide
CID 74884134
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea
CID 74884545
ethyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylcarbamate
CID 43596830
(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol
CID 156809597
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide
CID 103021356
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1,4-dioxane-2-carboxamide
CID 43662793
4-chloro-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide
CID 114088799

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide (CID 114282302) is N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)N(C)[C@H]1CNC[C@@H]1O)C(C)C.
What is the InChIKey of N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is YQXHWEUMIXIPPT-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-8(2)12(9(3)4)13(17)15(5)10-6-14-7-11(10)16/h8-12,14,16H,6-7H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide?
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 114282302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).