N-(oxiran-2-ylmethylcarbamoyl)acetamide

C6H10N2O3 — CID 118485956

IUPACN-(oxiran-2-ylmethylcarbamoyl)acetamide
SMILESCC(=O)NC(=O)NCC1CO1
InChIInChI=1S/C6H10N2O3/c1-4(9)8-6(10)7-2-5-3-11-5/h5H,2-3H2,1H3,(H2,7,8,9,10)
InChIKeyGOCKQOVMLIALAQ-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.77
Rot. Bonds2

About N-(oxiran-2-ylmethylcarbamoyl)acetamide

N-(oxiran-2-ylmethylcarbamoyl)acetamide (PubChem CID 118485956) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is N-(oxiran-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound NameN-(oxiran-2-ylmethylcarbamoyl)acetamide
PubChem CID118485956
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC NameN-(oxiran-2-ylmethylcarbamoyl)acetamide
SMILESCC(=O)NC(=O)NCC1CO1
InChIInChI=1S/C6H10N2O3/c1-4(9)8-6(10)7-2-5-3-11-5/h5H,2-3H2,1H3,(H2,7,8,9,10)
InChIKeyGOCKQOVMLIALAQ-UHFFFAOYSA-N
XLogP-0.77
TPSA70.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxiran-2-ylmethylurea
CID 18380130
1,3-Bis(oxiran-2-ylmethyl)urea
CID 20331550
1-(2-Methoxypropyl)-3-methylurea
CID 58758816
1-Methyl-1,3-bis(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea
CID 117749983
N-[acetyl(oxiran-2-ylmethyl)carbamoyl]acetamide
CID 132075955
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
CID 134566947
N-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide
CID 138738782
1-(Ethylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 144002945
1,1-Dimethyl-3-(oxiran-2-ylmethyl)urea
CID 155625328
1-[(2S)-2-methoxypropyl]-3-methylurea
CID 156082012
1-[(2R)-2-methoxypropyl]-3-methylurea
CID 156148634
1-(2-Methylpropyl)-3-(oxiran-2-ylmethyl)urea
CID 163423757

Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of N-(oxiran-2-ylmethylcarbamoyl)acetamide (CID 118485956) is N-(oxiran-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for N-(oxiran-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for N-(oxiran-2-ylmethylcarbamoyl)acetamide is CC(=O)NC(=O)NCC1CO1.
What is the InChIKey of N-(oxiran-2-ylmethylcarbamoyl)acetamide?
The InChIKey is GOCKQOVMLIALAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-4(9)8-6(10)7-2-5-3-11-5/h5H,2-3H2,1H3,(H2,7,8,9,10).
What are the key properties of N-(oxiran-2-ylmethylcarbamoyl)acetamide?
N-(oxiran-2-ylmethylcarbamoyl)acetamide has a molecular weight of 158.16 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 118485956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).