(2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

C12H22N2O2 — CID 138016410

IUPAC(2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](NCC1(O)CCC1)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O2/c1-10(11(15)14-7-2-3-8-14)13-9-12(16)5-4-6-12/h10,13,16H,2-9H2,1H3/t10-/m0/s1
InChIKeyLDLZVDZCQYPTNZ-JTQLQIEISA-N
MW226.32 g/mol
LogP0.50
Rot. Bonds4

About (2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 138016410) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID138016410
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](NCC1(O)CCC1)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O2/c1-10(11(15)14-7-2-3-8-14)13-9-12(16)5-4-6-12/h10,13,16H,2-9H2,1H3/t10-/m0/s1
InChIKeyLDLZVDZCQYPTNZ-JTQLQIEISA-N
XLogP0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[(3-hydroxyoxolan-3-yl)methylamino]propan-1-one
CID 106100801
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372
1-[4-hydroxy-4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 39243445
1-(azepan-1-yl)-2-[(3-methoxyoxolan-3-yl)methylamino]propan-1-one
CID 104704791
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
CID 43402044
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 103520472
2-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpropanamide
CID 54950879
N-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397982

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 138016410) is (2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is C[C@H](NCC1(O)CCC1)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LDLZVDZCQYPTNZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(11(15)14-7-2-3-8-14)13-9-12(16)5-4-6-12/h10,13,16H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 138016410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).