2-amino-3-hydroxybutanoic acid;1H-imidazole

C7H13N3O3 — CID 174854473

IUPAC2-amino-3-hydroxybutanoic acid;1H-imidazole
SMILESCC(O)C(N)C(=O)O.c1c[nH]cn1
InChIInChI=1S/C4H9NO3.C3H4N2/c1-2(6)3(5)4(7)8;1-2-5-3-4-1/h2-3,6H,5H2,1H3,(H,7,8);1-3H,(H,4,5)
InChIKeyZGVYFMZGPKLUJI-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.81
Rot. Bonds2

About 2-amino-3-hydroxybutanoic acid;1H-imidazole

2-amino-3-hydroxybutanoic acid;1H-imidazole (PubChem CID 174854473) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;1H-imidazole.

Molecular Properties

Compound Name2-amino-3-hydroxybutanoic acid;1H-imidazole
PubChem CID174854473
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name2-amino-3-hydroxybutanoic acid;1H-imidazole
SMILESCC(O)C(N)C(=O)O.c1c[nH]cn1
InChIInChI=1S/C4H9NO3.C3H4N2/c1-2(6)3(5)4(7)8;1-2-5-3-4-1/h2-3,6H,5H2,1H3,(H,7,8);1-3H,(H,4,5)
InChIKeyZGVYFMZGPKLUJI-UHFFFAOYSA-N
XLogP-0.81
TPSA112.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methylbutanoic acid;1H-imidazole
CID 66756430
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
bis(1H-imidazole);propanoic acid
CID 23342234
2-amino-3-hydroxybutanoic acid;urea
CID 174908114
ethane;tris(1H-imidazole);methane;tetrakis(2-methylpropane)
CID 161470002
CID 87185843
CID 87185843
2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 146265314
potassium;sodium;2-amino-3-hydroxybutanoic acid;hydride
CID 175449231
1H-imidazole;3-methylpentan-2-ol;hydrochloride
CID 173066373
carboxysulfanylformic acid;1H-imidazole
CID 174956051

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;1H-imidazole?
The IUPAC name of 2-amino-3-hydroxybutanoic acid;1H-imidazole (CID 174854473) is 2-amino-3-hydroxybutanoic acid;1H-imidazole.
What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;1H-imidazole?
The canonical SMILES for 2-amino-3-hydroxybutanoic acid;1H-imidazole is CC(O)C(N)C(=O)O.c1c[nH]cn1.
What is the InChIKey of 2-amino-3-hydroxybutanoic acid;1H-imidazole?
The InChIKey is ZGVYFMZGPKLUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.C3H4N2/c1-2(6)3(5)4(7)8;1-2-5-3-4-1/h2-3,6H,5H2,1H3,(H,7,8);1-3H,(H,4,5).
What are the key properties of 2-amino-3-hydroxybutanoic acid;1H-imidazole?
2-amino-3-hydroxybutanoic acid;1H-imidazole has a molecular weight of 187.20 g/mol, XLogP of -0.81, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanoic acid;1H-imidazole is sourced from PubChem (CID 174854473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).