(4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one

C10H18N2O3 — CID 101119798

IUPAC(4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one
SMILESCO[C@H]1[C@H](C(C)(C)C)NC(=O)N1C(C)=O
InChIInChI=1S/C10H18N2O3/c1-6(13)12-8(15-5)7(10(2,3)4)11-9(12)14/h7-8H,1-5H3,(H,11,14)/t7-,8+/m1/s1
InChIKeyZUFGNZLBUBMTCW-SFYZADRCSA-N
MW214.26 g/mol
LogP0.95
Rot. Bonds1

About (4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one

(4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one (PubChem CID 101119798) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one
PubChem CID101119798
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one
SMILESCO[C@H]1[C@H](C(C)(C)C)NC(=O)N1C(C)=O
InChIInChI=1S/C10H18N2O3/c1-6(13)12-8(15-5)7(10(2,3)4)11-9(12)14/h7-8H,1-5H3,(H,11,14)/t7-,8+/m1/s1
InChIKeyZUFGNZLBUBMTCW-SFYZADRCSA-N
XLogP0.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one 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

(3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 712333
(4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one
CID 101119809
2,6-diacetyl-2,4,6,8-tetrazabicyclo[3.3.1]nonane-3,7-dione
CID 2832048
1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one
CID 20823505
(4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one
CID 45091148
(1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one
CID 102005518
3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one
CID 12710759
(2S,5R)-1-acetyl-6-methoxy-5-methylpiperidine-2-carboxylic acid
CID 57031430
1-(2,6-dimethoxypiperidin-1-yl)ethanone
CID 21322863
(3aR,6aR)-3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 832248
2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
CID 56690032
(1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
CID 95987832

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one?
The IUPAC name of (4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one (CID 101119798) is (4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one.
What is the SMILES notation for (4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one?
The canonical SMILES for (4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one is CO[C@H]1[C@H](C(C)(C)C)NC(=O)N1C(C)=O.
What is the InChIKey of (4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one?
The InChIKey is ZUFGNZLBUBMTCW-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(13)12-8(15-5)7(10(2,3)4)11-9(12)14/h7-8H,1-5H3,(H,11,14)/t7-,8+/m1/s1.
What are the key properties of (4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one?
(4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one has a molecular weight of 214.26 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one is sourced from PubChem (CID 101119798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).