1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid

C10H20N2O2 — CID 126689000

IUPAC1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid
SMILESCC(C)N1CCN(C(C)C)C1C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7(2)11-5-6-12(8(3)4)9(11)10(13)14/h7-9H,5-6H2,1-4H3,(H,13,14)
InChIKeyWXKOHMWEVLMUDL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.83
Rot. Bonds3

About 1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid

1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid (PubChem CID 126689000) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid.

Molecular Properties

Compound Name1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid
PubChem CID126689000
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid
SMILESCC(C)N1CCN(C(C)C)C1C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7(2)11-5-6-12(8(3)4)9(11)10(13)14/h7-9H,5-6H2,1-4H3,(H,13,14)
InChIKeyWXKOHMWEVLMUDL-UHFFFAOYSA-N
XLogP0.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
(2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid
CID 124744772
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96603802
(2S,4R)-4-methoxy-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 53487433
(3S)-3-(hydroxymethyl)-4-propan-2-ylpiperazine-1-carboxylic acid
CID 134500157
1-(1-propan-2-ylaziridin-2-yl)ethanone
CID 160809757
2-fluoro-1,3-di(propan-2-yl)imidazolidine
CID 70243177
5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 83848024
2-ethyl-1-propan-2-ylpiperidine-4-carboxylic acid
CID 54268210
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid?
The IUPAC name of 1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid (CID 126689000) is 1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid.
What is the SMILES notation for 1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid?
The canonical SMILES for 1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid is CC(C)N1CCN(C(C)C)C1C(=O)O.
What is the InChIKey of 1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid?
The InChIKey is WXKOHMWEVLMUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)11-5-6-12(8(3)4)9(11)10(13)14/h7-9H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid?
1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid is sourced from PubChem (CID 126689000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).