3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one

C11H22N2O2 — CID 107159444

IUPAC3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one
SMILESCC(C)(C)CC(O)CN1CCC(N)C1=O
InChIInChI=1S/C11H22N2O2/c1-11(2,3)6-8(14)7-13-5-4-9(12)10(13)15/h8-9,14H,4-7,12H2,1-3H3
InChIKeyLBEBRROYSGNASW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds3

About 3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one

3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one (PubChem CID 107159444) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one
PubChem CID107159444
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one
SMILESCC(C)(C)CC(O)CN1CCC(N)C1=O
InChIInChI=1S/C11H22N2O2/c1-11(2,3)6-8(14)7-13-5-4-9(12)10(13)15/h8-9,14H,4-7,12H2,1-3H3
InChIKeyLBEBRROYSGNASW-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid
CID 178147603
3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one
CID 107159445
3-amino-1-[2-(dimethylamino)-2-hydroxyethyl]azepan-2-one
CID 22945909
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride
CID 67416985
(3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride
CID 130236749
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038
tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate
CID 171538458
3-amino-1-[[1-(dimethylamino)cyclobutyl]methyl]pyrrolidin-2-one
CID 105420598
1-(2-hydroxy-4,4-dimethylpentyl)-3,4-dimethylpyrrole-2,5-dione
CID 107155503
2-(2-hydroxy-4,4-dimethylpentyl)-4,7-dimethylisoindole-1,3-dione
CID 107155469
3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 107849724

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one (CID 107159444) is 3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one is CC(C)(C)CC(O)CN1CCC(N)C1=O.
What is the InChIKey of 3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one?
The InChIKey is LBEBRROYSGNASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)6-8(14)7-13-5-4-9(12)10(13)15/h8-9,14H,4-7,12H2,1-3H3.
What are the key properties of 3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one?
3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one is sourced from PubChem (CID 107159444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).