2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C14H25NO3 — CID 58584459

IUPAC2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(C)(C)C1(C(O)C(=O)N2CCCC2CO)CC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)14(6-7-14)11(17)12(18)15-8-4-5-10(15)9-16/h10-11,16-17H,4-9H2,1-3H3
InChIKeyFYYKJLBWYDEZOV-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.16
Rot. Bonds3

About 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 58584459) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID58584459
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(C)(C)C1(C(O)C(=O)N2CCCC2CO)CC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)14(6-7-14)11(17)12(18)15-8-4-5-10(15)9-16/h10-11,16-17H,4-9H2,1-3H3
InChIKeyFYYKJLBWYDEZOV-UHFFFAOYSA-N
XLogP1.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 68920514
(2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 70927936
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 107217823
3-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 64678621
2-bromo-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 107216575
2-chloro-2-fluoro-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 166427885
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
2-ethyl-1-[2-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 43429060
(2R)-2-hydroxy-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 15852898

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 58584459) is 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is CC(C)(C)C1(C(O)C(=O)N2CCCC2CO)CC1.
What is the InChIKey of 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is FYYKJLBWYDEZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)14(6-7-14)11(17)12(18)15-8-4-5-10(15)9-16/h10-11,16-17H,4-9H2,1-3H3.
What are the key properties of 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 255.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 58584459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).