2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide

C8H12N2O3 — CID 163828991

IUPAC2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide
SMILESNCC(=O)NC1(C=O)CC1CC=O
InChIInChI=1S/C8H12N2O3/c9-4-7(13)10-8(5-12)3-6(8)1-2-11/h2,5-6H,1,3-4,9H2,(H,10,13)
InChIKeyOCARKCXWQTUKJB-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.39
Rot. Bonds5

About 2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide

2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide (PubChem CID 163828991) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide
PubChem CID163828991
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide
SMILESNCC(=O)NC1(C=O)CC1CC=O
InChIInChI=1S/C8H12N2O3/c9-4-7(13)10-8(5-12)3-6(8)1-2-11/h2,5-6H,1,3-4,9H2,(H,10,13)
InChIKeyOCARKCXWQTUKJB-UHFFFAOYSA-N
XLogP-1.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide?
The IUPAC name of 2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide (CID 163828991) is 2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide is NCC(=O)NC1(C=O)CC1CC=O.
What is the InChIKey of 2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide?
The InChIKey is OCARKCXWQTUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c9-4-7(13)10-8(5-12)3-6(8)1-2-11/h2,5-6H,1,3-4,9H2,(H,10,13).
What are the key properties of 2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide?
2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide has a molecular weight of 184.19 g/mol, XLogP of -1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-formyl-2-(2-oxoethyl)cyclopropyl]acetamide is sourced from PubChem (CID 163828991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).