(2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one

C6H9N3O2 — CID 66681778

IUPAC(2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one
SMILESN[C@@H](CO)C(=O)n1ccnc1
InChIInChI=1S/C6H9N3O2/c7-5(3-10)6(11)9-2-1-8-4-9/h1-2,4-5,10H,3,7H2/t5-/m0/s1
InChIKeyPLRBVOKVIRCASR-YFKPBYRVSA-N
MW155.16 g/mol
LogP-1.16
Rot. Bonds2

About (2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one

(2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one (PubChem CID 66681778) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one
PubChem CID66681778
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one
SMILESN[C@@H](CO)C(=O)n1ccnc1
InChIInChI=1S/C6H9N3O2/c7-5(3-10)6(11)9-2-1-8-4-9/h1-2,4-5,10H,3,7H2/t5-/m0/s1
InChIKeyPLRBVOKVIRCASR-YFKPBYRVSA-N
XLogP-1.16
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one?
The IUPAC name of (2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one (CID 66681778) is (2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one is N[C@@H](CO)C(=O)n1ccnc1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one?
The InChIKey is PLRBVOKVIRCASR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-5(3-10)6(11)9-2-1-8-4-9/h1-2,4-5,10H,3,7H2/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one?
(2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one has a molecular weight of 155.16 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-1-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 66681778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).