2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one

C11H22N2O2 — CID 68920514

IUPAC2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)N1CCCC1CO
InChIInChI=1S/C11H22N2O2/c1-11(2,3)9(12)10(15)13-6-4-5-8(13)7-14/h8-9,14H,4-7,12H2,1-3H3
InChIKeyYDKAIMKWIXUPPE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds2

About 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one

2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 68920514) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID68920514
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)N1CCCC1CO
InChIInChI=1S/C11H22N2O2/c1-11(2,3)9(12)10(15)13-6-4-5-8(13)7-14/h8-9,14H,4-7,12H2,1-3H3
InChIKeyYDKAIMKWIXUPPE-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 61165533
2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid
CID 103929702
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
(2R)-2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-3-methylbutan-1-one
CID 104891495
methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
CID 61157077
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 107218030
2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 58584459
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 107217835
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217915

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one (CID 68920514) is 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)C(N)C(=O)N1CCCC1CO.
What is the InChIKey of 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is YDKAIMKWIXUPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)9(12)10(15)13-6-4-5-8(13)7-14/h8-9,14H,4-7,12H2,1-3H3.
What are the key properties of 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one?
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 68920514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).