2-amino-3-(1H-imidazol-5-yl)propan-1-ol

C6H11N3O — CID 776

IUPAC2-amino-3-(1H-imidazol-5-yl)propan-1-ol
SMILESNC(CO)Cc1cnc[nH]1
InChIInChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)
InChIKeyZQISRDCJNBUVMM-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.73
Rot. Bonds3

About 2-amino-3-(1H-imidazol-5-yl)propan-1-ol

2-amino-3-(1H-imidazol-5-yl)propan-1-ol (PubChem CID 776) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-amino-3-(1H-imidazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(1H-imidazol-5-yl)propan-1-ol
PubChem CID776
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-amino-3-(1H-imidazol-5-yl)propan-1-ol
SMILESNC(CO)Cc1cnc[nH]1
InChIInChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)
InChIKeyZQISRDCJNBUVMM-UHFFFAOYSA-N
XLogP-0.73
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-Histidine
CID 6274
L-Histidinol
CID 165271
1H-Imidazole-5-propanoic acid
CID 70630
(2S)-2-ammonio-3-(1H-imidazol-4-yl)propanoate
CID 6971009
D-Histidine
CID 71083
Histidine Monohydrochloride
CID 66091
DL-histidine
CID 773
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
L-Histidinol phosphate
CID 439398
alpha-methylhistamine, (R)-
CID 156615
Fub 465
CID 9989449
Histidine Monohydrochloride Monohydrate
CID 165377

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-imidazol-5-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(1H-imidazol-5-yl)propan-1-ol (CID 776) is 2-amino-3-(1H-imidazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(1H-imidazol-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(1H-imidazol-5-yl)propan-1-ol is NC(CO)Cc1cnc[nH]1.
What is the InChIKey of 2-amino-3-(1H-imidazol-5-yl)propan-1-ol?
The InChIKey is ZQISRDCJNBUVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9).
What are the key properties of 2-amino-3-(1H-imidazol-5-yl)propan-1-ol?
2-amino-3-(1H-imidazol-5-yl)propan-1-ol has a molecular weight of 141.17 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-imidazol-5-yl)propan-1-ol is sourced from PubChem (CID 776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).