tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid

C14H24N4O6 — CID 158781811

IUPACtert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCN1C(=O)NC[C@@H]1C(=O)O.CN1C(=O)NC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C9H16N2O3.C5H8N2O3/c1-9(2,3)14-7(12)6-5-10-8(13)11(6)4;1-7-3(4(8)9)2-6-5(7)10/h6H,5H2,1-4H3,(H,10,13);3H,2H2,1H3,(H,6,10)(H,8,9)/t6-;3-/m11/s1
InChIKeyIREGOHGYZQEBAV-IKPQAXJCSA-N
MW344.37 g/mol
LogP-0.55
Rot. Bonds2

About tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid

tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 158781811) has the molecular formula C14H24N4O6 and a molecular weight of 344.37 g/mol. Its IUPAC name is tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Nametert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
PubChem CID158781811
Molecular FormulaC14H24N4O6
Molecular Weight344.37 g/mol
Exact Mass344.17
IUPAC Nametert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCN1C(=O)NC[C@@H]1C(=O)O.CN1C(=O)NC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C9H16N2O3.C5H8N2O3/c1-9(2,3)14-7(12)6-5-10-8(13)11(6)4;1-7-3(4(8)9)2-6-5(7)10/h6H,5H2,1-4H3,(H,10,13);3H,2H2,1H3,(H,6,10)(H,8,9)/t6-;3-/m11/s1
InChIKeyIREGOHGYZQEBAV-IKPQAXJCSA-N
XLogP-0.55
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid with MolForge

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Related Compounds

(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 159158543
tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
CID 124575955
1-methyl-5-(2-phosphanylacetyl)imidazolidin-2-one
CID 20723837
tert-butyl 5-oxopiperazine-2-carboxylate
CID 103846290
2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid
CID 56991730
tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate
CID 10511752
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid
CID 146596831
3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22956955
5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 67042420
tert-butyl 1-oxo-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-4-carboxylate
CID 167720519
(2S,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 154574539
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid (CID 158781811) is tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid is CN1C(=O)NC[C@@H]1C(=O)O.CN1C(=O)NC[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is IREGOHGYZQEBAV-IKPQAXJCSA-N. The full InChI is InChI=1S/C9H16N2O3.C5H8N2O3/c1-9(2,3)14-7(12)6-5-10-8(13)11(6)4;1-7-3(4(8)9)2-6-5(7)10/h6H,5H2,1-4H3,(H,10,13);3H,2H2,1H3,(H,6,10)(H,8,9)/t6-;3-/m11/s1.
What are the key properties of tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 158781811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).