1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one

C10H20N2O — CID 89224237

IUPAC1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@H](C(C)(C)N)C1
InChIInChI=1S/C10H20N2O/c1-4-9(13)12-6-5-8(7-12)10(2,3)11/h8H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKeySSXIEPOSTWVBBJ-QMMMGPOBSA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds2

About 1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one

1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 89224237) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID89224237
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@H](C(C)(C)N)C1
InChIInChI=1S/C10H20N2O/c1-4-9(13)12-6-5-8(7-12)10(2,3)11/h8H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKeySSXIEPOSTWVBBJ-QMMMGPOBSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butylpiperidin-1-yl)propan-1-one
CID 59751403
1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one
CID 165476111
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
CID 96581961
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
1-(3-tert-butylpyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107034817
1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 165439664
2-(1-aminocyclopentyl)-1-(3-tert-butylpyrrolidin-1-yl)ethanone
CID 113417335
1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one
CID 11482299
4-(3-tert-butylpyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 113417042
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
CID 80553918
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one (CID 89224237) is 1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CC[C@H](C(C)(C)N)C1.
What is the InChIKey of 1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is SSXIEPOSTWVBBJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-9(13)12-6-5-8(7-12)10(2,3)11/h8H,4-7,11H2,1-3H3/t8-/m0/s1.
What are the key properties of 1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one?
1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 89224237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).