2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone

C12H24N2O2 — CID 112625258

IUPAC2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCC(O)C1CCN(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(15)10-5-6-14(8-10)11(16)7-13-12(2,3)4/h9-10,13,15H,5-8H2,1-4H3
InChIKeyMDHFCCGCRCZVPU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.60
Rot. Bonds3

About 2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone

2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 112625258) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID112625258
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCC(O)C1CCN(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(15)10-5-6-14(8-10)11(16)7-13-12(2,3)4/h9-10,13,15H,5-8H2,1-4H3
InChIKeyMDHFCCGCRCZVPU-UHFFFAOYSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(tert-butylamino)-1-[3-(1-hydroxyethyl)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

N-cyclopentyl-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 56787484
2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 96097970
N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 136518328
N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide
CID 90876604
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 109997207
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 110019853
1-[3-(1-Hydroxyethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 112625224
2-Amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 112625231
N-(3-ethyl-2-hydroxypentyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 71849224
N-[[(2S,4R)-1-butyl-4-hydroxypyrrolidin-2-yl]methyl]acetamide
CID 46199599
(2S,3R,4S)-2-amino-4-hydroxy-3-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 58703482
2-[(3S,4S)-3-acetamido-4-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 58748262

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 112625258) is 2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone is CC(O)C1CCN(C(=O)CNC(C)(C)C)C1.
What is the InChIKey of 2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is MDHFCCGCRCZVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(15)10-5-6-14(8-10)11(16)7-13-12(2,3)4/h9-10,13,15H,5-8H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 228.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 112625258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).