1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone

C9H18N2O — CID 170366301

IUPAC1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H](N)CN1C(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)11-5-8(10)4-9(11)7(3)12/h6,8-9H,4-5,10H2,1-3H3/t8-,9+/m1/s1
InChIKeyWAEUPUCUMXHKRB-BDAKNGLRSA-N
MW170.26 g/mol
LogP0.39
Rot. Bonds2

About 1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone

1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone (PubChem CID 170366301) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone
PubChem CID170366301
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H](N)CN1C(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)11-5-8(10)4-9(11)7(3)12/h6,8-9H,4-5,10H2,1-3H3/t8-,9+/m1/s1
InChIKeyWAEUPUCUMXHKRB-BDAKNGLRSA-N
XLogP0.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 20737880
(2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 118760260
1-(1-propan-2-ylaziridin-2-yl)ethanone
CID 160809757
1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone
CID 70192630
(2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 118760263
[(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol
CID 130193013
2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one
CID 177101815
(2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
CID 170157861
1-[(2S)-4-phenoxy-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 71207257
[2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol
CID 141074035
1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one
CID 166119362
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone (CID 170366301) is 1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1C[C@@H](N)CN1C(C)C.
What is the InChIKey of 1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The InChIKey is WAEUPUCUMXHKRB-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6(2)11-5-8(10)4-9(11)7(3)12/h6,8-9H,4-5,10H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of 1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone?
1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 170366301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).