2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide

C10H20N2O2 — CID 78930704

IUPAC2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CC[C@H](O)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)5-11-10(14)7-12-4-3-9(13)6-12/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t9-/m0/s1
InChIKeyYTGIKYITKKQZQO-VIFPVBQESA-N
MW200.28 g/mol
LogP-0.17
Rot. Bonds4

About 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 78930704) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID78930704
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CC[C@H](O)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)5-11-10(14)7-12-4-3-9(13)6-12/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t9-/m0/s1
InChIKeyYTGIKYITKKQZQO-VIFPVBQESA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pyrrolidineacetamide, N-(2-(bis(1-methylethyl)amino)ethyl-3-hydroxy-2-oxo-, (+-)-
CID 3069836
3-Hydroxy-2-methylamino-1-pyrrolidin-1-yl-butan-1-one
CID 118719173
tert-butyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-ethyl]carbamate
CID 471359
N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 136518328
1-(3-Fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone
CID 141136117
N,N'-bis(2-hydroxybutyl)oxamide
CID 90928565
(S)-2-(3-Hydroxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56687405
2-(3-hydroxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62916630
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63365256
1-(3-Hydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261788
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103719221
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103745543

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide (CID 78930704) is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CC[C@H](O)C1.
What is the InChIKey of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is YTGIKYITKKQZQO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)5-11-10(14)7-12-4-3-9(13)6-12/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t9-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide?
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 200.28 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 78930704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).