methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate

C14H23N3O6 — CID 66788956

IUPACmethyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate
SMILESCOC(=O)NC(C(=O)N1C(C(=O)OC)CNC1C(C)=O)C(C)C
InChIInChI=1S/C14H23N3O6/c1-7(2)10(16-14(21)23-5)12(19)17-9(13(20)22-4)6-15-11(17)8(3)18/h7,9-11,15H,6H2,1-5H3,(H,16,21)
InChIKeyTUCKNXOAINGJOS-UHFFFAOYSA-N
MW329.35 g/mol
LogP-0.74
Rot. Bonds5

About methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate

methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate (PubChem CID 66788956) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate
PubChem CID66788956
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Namemethyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate
SMILESCOC(=O)NC(C(=O)N1C(C(=O)OC)CNC1C(C)=O)C(C)C
InChIInChI=1S/C14H23N3O6/c1-7(2)10(16-14(21)23-5)12(19)17-9(13(20)22-4)6-15-11(17)8(3)18/h7,9-11,15H,6H2,1-5H3,(H,16,21)
InChIKeyTUCKNXOAINGJOS-UHFFFAOYSA-N
XLogP-0.74
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate 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

methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate
CID 59610280
(1R,3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 129094814
methyl (2S,4R,5R)-4-methyl-1-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-5-(2-oxoethyl)pyrrolidine-2-carboxylate
CID 88933348
methyl (2S,4S)-4-hydroxy-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate;methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 158218697
methyl (4S)-4-hydroxy-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 69048853
methyl N-[(2S)-3-methyl-1-oxo-1-[(1R,3S,5R)-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate
CID 58185298
methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
CID 58449518
methyl N-[(2S)-3-methyl-1-oxo-1-[(1S,3R,4R)-3-propan-2-yl-2-azabicyclo[2.2.1]heptan-2-yl]butan-2-yl]carbamate
CID 58300269
methyl N-[(2S)-3-methyl-1-oxo-1-[(1S,3S,4R)-3-propan-2-yl-2-azabicyclo[2.2.1]heptan-2-yl]butan-2-yl]carbamate
CID 66831134
methyl 3-[2-(methoxycarbonylamino)-3-methylbutanoyl]-1-phenylimidazolidine-4-carboxylate
CID 66620828
(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 90137543
methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)butan-2-yl]carbamate
CID 67989788

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate?
The IUPAC name of methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate (CID 66788956) is methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate?
The canonical SMILES for methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate is COC(=O)NC(C(=O)N1C(C(=O)OC)CNC1C(C)=O)C(C)C.
What is the InChIKey of methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate?
The InChIKey is TUCKNXOAINGJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O6/c1-7(2)10(16-14(21)23-5)12(19)17-9(13(20)22-4)6-15-11(17)8(3)18/h7,9-11,15H,6H2,1-5H3,(H,16,21).
What are the key properties of methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate?
methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate has a molecular weight of 329.35 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyl-3-[2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate is sourced from PubChem (CID 66788956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).