3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide

C8H16N4O — CID 134243505

IUPAC3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide
SMILESNCCC(=O)NCCC1NC=CN1
InChIInChI=1S/C8H16N4O/c9-3-1-8(13)12-4-2-7-10-5-6-11-7/h5-7,10-11H,1-4,9H2,(H,12,13)
InChIKeyQGOQWNJFDOFFHG-UHFFFAOYSA-N
MW184.24 g/mol
LogP-1.17
Rot. Bonds5

About 3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide

3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide (PubChem CID 134243505) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide
PubChem CID134243505
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide
SMILESNCCC(=O)NCCC1NC=CN1
InChIInChI=1S/C8H16N4O/c9-3-1-8(13)12-4-2-7-10-5-6-11-7/h5-7,10-11H,1-4,9H2,(H,12,13)
InChIKeyQGOQWNJFDOFFHG-UHFFFAOYSA-N
XLogP-1.17
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide (CID 134243505) is 3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide is NCCC(=O)NCCC1NC=CN1.
What is the InChIKey of 3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide?
The InChIKey is QGOQWNJFDOFFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c9-3-1-8(13)12-4-2-7-10-5-6-11-7/h5-7,10-11H,1-4,9H2,(H,12,13).
What are the key properties of 3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide?
3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide has a molecular weight of 184.24 g/mol, XLogP of -1.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 134243505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).