3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid

C12H21N3O5 — CID 106917281

IUPAC3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCNC(=O)C(C)CN(C)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H21N3O5/c1-8(9(16)13-2)6-15(3)11(19)14-12(10(17)18)4-5-20-7-12/h8H,4-7H2,1-3H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyBFCJCSJCHSOBJS-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.75
Rot. Bonds5

About 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid

3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 106917281) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID106917281
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCNC(=O)C(C)CN(C)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H21N3O5/c1-8(9(16)13-2)6-15(3)11(19)14-12(10(17)18)4-5-20-7-12/h8H,4-7H2,1-3H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyBFCJCSJCHSOBJS-UHFFFAOYSA-N
XLogP-0.75
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid (CID 106917281) is 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid is CNC(=O)C(C)CN(C)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is BFCJCSJCHSOBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-8(9(16)13-2)6-15(3)11(19)14-12(10(17)18)4-5-20-7-12/h8H,4-7H2,1-3H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106917281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).