2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide

C8H13N3O2 — CID 57098271

IUPAC2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide
SMILESO=C(CO)NCCCc1ncc[nH]1
InChIInChI=1S/C8H13N3O2/c12-6-8(13)11-3-1-2-7-9-4-5-10-7/h4-5,12H,1-3,6H2,(H,9,10)(H,11,13)
InChIKeyUPMNZPBHHBJJLX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.55
Rot. Bonds5

About 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide

2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide (PubChem CID 57098271) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide
PubChem CID57098271
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide
SMILESO=C(CO)NCCCc1ncc[nH]1
InChIInChI=1S/C8H13N3O2/c12-6-8(13)11-3-1-2-7-9-4-5-10-7/h4-5,12H,1-3,6H2,(H,9,10)(H,11,13)
InChIKeyUPMNZPBHHBJJLX-UHFFFAOYSA-N
XLogP-0.55
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide (CID 57098271) is 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide is O=C(CO)NCCCc1ncc[nH]1.
What is the InChIKey of 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide?
The InChIKey is UPMNZPBHHBJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-6-8(13)11-3-1-2-7-9-4-5-10-7/h4-5,12H,1-3,6H2,(H,9,10)(H,11,13).
What are the key properties of 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide?
2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide has a molecular weight of 183.21 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 57098271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).