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

C11H22N2O2 — CID 107217806

IUPAC2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C11H22N2O2/c1-2-3-6-10(12)11(15)13-7-4-5-9(13)8-14/h9-10,14H,2-8,12H2,1H3/t9-,10?/m1/s1
InChIKeyFGJDUHZUFBSPQO-YHMJZVADSA-N
MW214.31 g/mol
LogP0.49
Rot. Bonds5

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

2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one (PubChem CID 107217806) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
PubChem CID107217806
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C11H22N2O2/c1-2-3-6-10(12)11(15)13-7-4-5-9(13)8-14/h9-10,14H,2-8,12H2,1H3/t9-,10?/m1/s1
InChIKeyFGJDUHZUFBSPQO-YHMJZVADSA-N
XLogP0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one
CID 62480098
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217915
(2S)-2-amino-1-(2,3-dimethylpiperidin-1-yl)hexan-1-one
CID 103831675
2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
CID 60938876
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 107218030
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 107217982
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldecane-1,3-dione
CID 11300577
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one (CID 107217806) is 2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one is CCCCC(N)C(=O)N1CCC[C@@H]1CO.
What is the InChIKey of 2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one?
The InChIKey is FGJDUHZUFBSPQO-YHMJZVADSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-6-10(12)11(15)13-7-4-5-9(13)8-14/h9-10,14H,2-8,12H2,1H3/t9-,10?/m1/s1.
What are the key properties of 2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one?
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 107217806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).