2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one

C11H22N2O2 — CID 107217992

IUPAC2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)(CN)C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C11H22N2O2/c1-3-11(2,8-12)10(15)13-6-4-5-9(13)7-14/h9,14H,3-8,12H2,1-2H3/t9-,11?/m0/s1
InChIKeyUECUFMSQINOBDC-FTNKSUMCSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds4

About 2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one

2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one (PubChem CID 107217992) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one
PubChem CID107217992
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)(CN)C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C11H22N2O2/c1-3-11(2,8-12)10(15)13-6-4-5-9(13)7-14/h9,14H,3-8,12H2,1-2H3/t9-,11?/m0/s1
InChIKeyUECUFMSQINOBDC-FTNKSUMCSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 113270081
2-bromo-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 107216575
2-amino-2-ethyl-1-[2-(hydroxymethyl)azepan-1-yl]butan-1-one
CID 116634490
1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 63755069
3-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 64678621
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 107217823
2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290621
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 68920514
2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one
CID 114290751
3-amino-1-(2-ethylazepan-1-yl)-2,2-dimethylpropan-1-one
CID 104689401
1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
CID 63755560

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one (CID 107217992) is 2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one is CCC(C)(CN)C(=O)N1CCC[C@H]1CO.
What is the InChIKey of 2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one?
The InChIKey is UECUFMSQINOBDC-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(2,8-12)10(15)13-6-4-5-9(13)7-14/h9,14H,3-8,12H2,1-2H3/t9-,11?/m0/s1.
What are the key properties of 2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one?
2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 107217992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).