3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one

C10H20N2O2 — CID 107217823

IUPAC3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C10H20N2O2/c1-10(2,11)6-9(14)12-5-3-4-8(12)7-13/h8,13H,3-7,11H2,1-2H3/t8-/m1/s1
InChIKeyMGTOXZSROXONTO-MRVPVSSYSA-N
MW200.28 g/mol
LogP0.10
Rot. Bonds3

About 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one

3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one (PubChem CID 107217823) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
PubChem CID107217823
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C10H20N2O2/c1-10(2,11)6-9(14)12-5-3-4-8(12)7-13/h8,13H,3-7,11H2,1-2H3/t8-/m1/s1
InChIKeyMGTOXZSROXONTO-MRVPVSSYSA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 64678621
5-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 55135986
3,3,3-trifluoro-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79029042
3-(tert-butylamino)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107217993
3-amino-1-[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 124696004
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 103940379
5-[2-(hydroxymethyl)azepan-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 116634322
2-bromo-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 63680489
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 61408914
2-bromo-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 107216575
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 68920514

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one (CID 107217823) is 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one is CC(C)(N)CC(=O)N1CCC[C@@H]1CO.
What is the InChIKey of 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one?
The InChIKey is MGTOXZSROXONTO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,11)6-9(14)12-5-3-4-8(12)7-13/h8,13H,3-7,11H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one?
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 107217823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).