3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid

C12H22N2O4 — CID 10199050

IUPAC3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid
SMILESCCNC(C(=O)N1COCC1C(=O)O)C(C)CC
InChIInChI=1S/C12H22N2O4/c1-4-8(3)10(13-5-2)11(15)14-7-18-6-9(14)12(16)17/h8-10,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyOEAXHHMKDJFAOO-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.28
Rot. Bonds6

About 3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid

3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid (PubChem CID 10199050) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid
PubChem CID10199050
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid
SMILESCCNC(C(=O)N1COCC1C(=O)O)C(C)CC
InChIInChI=1S/C12H22N2O4/c1-4-8(3)10(13-5-2)11(15)14-7-18-6-9(14)12(16)17/h8-10,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyOEAXHHMKDJFAOO-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid (CID 10199050) is 3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid is CCNC(C(=O)N1COCC1C(=O)O)C(C)CC.
What is the InChIKey of 3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is OEAXHHMKDJFAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-8(3)10(13-5-2)11(15)14-7-18-6-9(14)12(16)17/h8-10,13H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid?
3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 10199050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).