3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one

C10H20N2O — CID 124508505

IUPAC3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
SMILESCC(C)[C@@H]1CCCN1C(=O)CCN
InChIInChI=1S/C10H20N2O/c1-8(2)9-4-3-7-12(9)10(13)5-6-11/h8-9H,3-7,11H2,1-2H3/t9-/m0/s1
InChIKeyFLNXJINRDXEBSJ-VIFPVBQESA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds3

About 3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one

3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 124508505) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
PubChem CID124508505
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
SMILESCC(C)[C@@H]1CCCN1C(=O)CCN
InChIInChI=1S/C10H20N2O/c1-8(2)9-4-3-7-12(9)10(13)5-6-11/h8-9H,3-7,11H2,1-2H3/t9-/m0/s1
InChIKeyFLNXJINRDXEBSJ-VIFPVBQESA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

3-amino-1-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]propan-1-one
CID 99849531
methyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 76708874
tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 106707539
4-amino-3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one
CID 114227484
3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one
CID 99808840
2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 104678353
ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
CID 142558252
4-[3-oxo-3-(2-propan-2-ylpyrrolidin-1-yl)propyl]benzoic acid
CID 119180819
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
(1-aminocyclopentyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62059351
2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79290556

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one (CID 124508505) is 3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one is CC(C)[C@@H]1CCCN1C(=O)CCN.
What is the InChIKey of 3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is FLNXJINRDXEBSJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)9-4-3-7-12(9)10(13)5-6-11/h8-9H,3-7,11H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one?
3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124508505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).