potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate

C6H8KN3O2 — CID 70188416

IUPACpotassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)[O-].[K+]
InChIInChI=1S/C6H9N3O2.K/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;+1/p-1/t5-;/m0./s1
InChIKeyNFVRGIJZUCYPDF-JEDNCBNOSA-M
MW193.25 g/mol
LogP-4.97
Rot. Bonds3

About potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate

potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 70188416) has the molecular formula C6H8KN3O2 and a molecular weight of 193.25 g/mol. Its IUPAC name is potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Namepotassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID70188416
Molecular FormulaC6H8KN3O2
Molecular Weight193.25 g/mol
Exact Mass193.03
IUPAC Namepotassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)[O-].[K+]
InChIInChI=1S/C6H9N3O2.K/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;+1/p-1/t5-;/m0./s1
InChIKeyNFVRGIJZUCYPDF-JEDNCBNOSA-M
XLogP-4.97
TPSA94.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-4.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)
CID 3047336
bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)
CID 68767985
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57179687
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
3-amino-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 45260587

Frequently Asked Questions

What is the IUPAC name of potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate (CID 70188416) is potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate is N[C@@H](Cc1cnc[nH]1)C(=O)[O-].[K+].
What is the InChIKey of potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is NFVRGIJZUCYPDF-JEDNCBNOSA-M. The full InChI is InChI=1S/C6H9N3O2.K/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;+1/p-1/t5-;/m0./s1.
What are the key properties of potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate?
potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 193.25 g/mol, XLogP of -4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 70188416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).