N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide

C9H15N3O3 — CID 170829461

IUPACN-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cncn1C
InChIInChI=1S/C9H15N3O3/c1-6(13)11-4-8(14)9(15)7-3-10-5-12(7)2/h3,5,8-9,14-15H,4H2,1-2H3,(H,11,13)
InChIKeySCMFKSSENSQQOA-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.05
Rot. Bonds4

About N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide

N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide (PubChem CID 170829461) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide
PubChem CID170829461
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cncn1C
InChIInChI=1S/C9H15N3O3/c1-6(13)11-4-8(14)9(15)7-3-10-5-12(7)2/h3,5,8-9,14-15H,4H2,1-2H3,(H,11,13)
InChIKeySCMFKSSENSQQOA-UHFFFAOYSA-N
XLogP-1.05
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
4-chloro-1-(3-methylimidazol-4-yl)butane-1,2-diol
CID 171893204
4-hydroxy-3-methyl-4-(3-methylimidazol-4-yl)butanoic acid
CID 66117662
N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831115
N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide
CID 104942230
4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544
2-amino-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66116586
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170830510
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
CID 170830460
N-[4-hydroxy-2-(3-methylimidazol-4-yl)butyl]but-2-ynamide
CID 146098118

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide (CID 170829461) is N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide is CC(=O)NCC(O)C(O)c1cncn1C.
What is the InChIKey of N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide?
The InChIKey is SCMFKSSENSQQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(13)11-4-8(14)9(15)7-3-10-5-12(7)2/h3,5,8-9,14-15H,4H2,1-2H3,(H,11,13).
What are the key properties of N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide?
N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide has a molecular weight of 213.24 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide is sourced from PubChem (CID 170829461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).