3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

C8H14N4O — CID 2574

IUPAC3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESNCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13)
InChIKeyANRUJJLGVODXIK-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.58
Rot. Bonds5

About 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (PubChem CID 2574) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
PubChem CID2574
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESNCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13)
InChIKeyANRUJJLGVODXIK-UHFFFAOYSA-N
XLogP-0.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 112532409
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866
tert-butyl N-[3-[2-(1H-imidazol-5-yl)ethylamino]-3-oxopropyl]carbamate
CID 10588966
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide
CID 171117231
(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide
CID 171117235

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (CID 2574) is 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is NCCC(=O)NCCc1cnc[nH]1.
What is the InChIKey of 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The InChIKey is ANRUJJLGVODXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13).
What are the key properties of 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide has a molecular weight of 182.23 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 2574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).