3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one

C11H22N2O2 — CID 94896146

IUPAC3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)NCCC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)12-6-4-10(15)13-7-5-9(14)8-13/h9,12,14H,4-8H2,1-3H3/t9-/m0/s1
InChIKeySBBJVUHBKCGSHX-VIFPVBQESA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds3

About 3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one

3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one (PubChem CID 94896146) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
PubChem CID94896146
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)NCCC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)12-6-4-10(15)13-7-5-9(14)8-13/h9,12,14H,4-8H2,1-3H3/t9-/m0/s1
InChIKeySBBJVUHBKCGSHX-VIFPVBQESA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid
CID 115918606
3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 54873639
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223
1-(3-hydroxypyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107028868
ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 153375524
4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid
CID 166590747
1-(3-hydroxypyrrolidin-1-yl)tridecane-1,12-dione
CID 134480941
3-(ethylamino)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 62831735
3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one
CID 61430295
1-[4-[3-(tert-butylamino)propanoyl]piperazin-1-yl]-4,4-dimethylpentan-1-one
CID 167119689

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one (CID 94896146) is 3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one is CC(C)(C)NCCC(=O)N1CC[C@H](O)C1.
What is the InChIKey of 3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The InChIKey is SBBJVUHBKCGSHX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)12-6-4-10(15)13-7-5-9(14)8-13/h9,12,14H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of 3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one?
3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 94896146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).