N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide

C8H15N3O2 — CID 103101813

IUPACN-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide
SMILESCCN(CC(N)=O)C(=O)C1CNC1
InChIInChI=1S/C8H15N3O2/c1-2-11(5-7(9)12)8(13)6-3-10-4-6/h6,10H,2-5H2,1H3,(H2,9,12)
InChIKeyBPVPNIIWMRUCEY-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.46
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide

N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide (PubChem CID 103101813) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide
PubChem CID103101813
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide
SMILESCCN(CC(N)=O)C(=O)C1CNC1
InChIInChI=1S/C8H15N3O2/c1-2-11(5-7(9)12)8(13)6-3-10-4-6/h6,10H,2-5H2,1H3,(H2,9,12)
InChIKeyBPVPNIIWMRUCEY-UHFFFAOYSA-N
XLogP-1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide (CID 103101813) is N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide is CCN(CC(N)=O)C(=O)C1CNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide?
The InChIKey is BPVPNIIWMRUCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-11(5-7(9)12)8(13)6-3-10-4-6/h6,10H,2-5H2,1H3,(H2,9,12).
What are the key properties of N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide is sourced from PubChem (CID 103101813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).