N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide

C12H17N3O6 — CID 89147873

IUPACN-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide
SMILESCC1(NC(=O)N(C(=O)N(C=O)C2(C)CO2)C2(C)CO2)CO1
InChIInChI=1S/C12H17N3O6/c1-10(4-19-10)13-8(17)15(12(3)6-21-12)9(18)14(7-16)11(2)5-20-11/h7H,4-6H2,1-3H3,(H,13,17)
InChIKeyIPKLKEDDXZULIO-UHFFFAOYSA-N
MW299.28 g/mol
LogP-0.18
Rot. Bonds4

About N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide

N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide (PubChem CID 89147873) has the molecular formula C12H17N3O6 and a molecular weight of 299.28 g/mol. Its IUPAC name is N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide.

Molecular Properties

Compound NameN-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide
PubChem CID89147873
Molecular FormulaC12H17N3O6
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC NameN-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide
SMILESCC1(NC(=O)N(C(=O)N(C=O)C2(C)CO2)C2(C)CO2)CO1
InChIInChI=1S/C12H17N3O6/c1-10(4-19-10)13-8(17)15(12(3)6-21-12)9(18)14(7-16)11(2)5-20-11/h7H,4-6H2,1-3H3,(H,13,17)
InChIKeyIPKLKEDDXZULIO-UHFFFAOYSA-N
XLogP-0.18
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide?
The IUPAC name of N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide (CID 89147873) is N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide.
What is the SMILES notation for N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide?
The canonical SMILES for N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide is CC1(NC(=O)N(C(=O)N(C=O)C2(C)CO2)C2(C)CO2)CO1.
What is the InChIKey of N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide?
The InChIKey is IPKLKEDDXZULIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O6/c1-10(4-19-10)13-8(17)15(12(3)6-21-12)9(18)14(7-16)11(2)5-20-11/h7H,4-6H2,1-3H3,(H,13,17).
What are the key properties of N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide?
N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide has a molecular weight of 299.28 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide is sourced from PubChem (CID 89147873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).