4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

C12H21N3O5 — CID 66248589

IUPAC4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCCN(CC(=O)NC)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-4-15(5-9(16)13-3)11(19)14-8-6-20-7-12(8,2)10(17)18/h8H,4-7H2,1-3H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyQKNQBFGYYQLRRO-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.75
Rot. Bonds5

About 4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66248589) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66248589
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCCN(CC(=O)NC)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-4-15(5-9(16)13-3)11(19)14-8-6-20-7-12(8,2)10(17)18/h8H,4-7H2,1-3H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyQKNQBFGYYQLRRO-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 4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (CID 66248589) is 4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is CCN(CC(=O)NC)C(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is QKNQBFGYYQLRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-4-15(5-9(16)13-3)11(19)14-8-6-20-7-12(8,2)10(17)18/h8H,4-7H2,1-3H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-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 4-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66248589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).