1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid

C10H18N2O3 — CID 68720122

IUPAC1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCCN1C(=O)N(C(C)(C)C)CC1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-5-11-7(8(13)14)6-12(9(11)15)10(2,3)4/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyGRENDAPXPGAZEM-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.00
Rot. Bonds2

About 1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid

1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 68720122) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid
PubChem CID68720122
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCCN1C(=O)N(C(C)(C)C)CC1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-5-11-7(8(13)14)6-12(9(11)15)10(2,3)4/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyGRENDAPXPGAZEM-UHFFFAOYSA-N
XLogP1.00
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of 1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid (CID 68720122) is 1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for 1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid is CCN1C(=O)N(C(C)(C)C)CC1C(=O)O.
What is the InChIKey of 1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is GRENDAPXPGAZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5-11-7(8(13)14)6-12(9(11)15)10(2,3)4/h7H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid?
1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 68720122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).