(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane

C6H11N3O2S — CID 158124498

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)O.S
InChIInChI=1S/C6H9N3O2.H2S/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H2/t5-;/m0./s1
InChIKeyFRZNWWDAAPMEKH-JEDNCBNOSA-N
MW189.24 g/mol
LogP-0.52
Rot. Bonds3

About (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane

(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane (PubChem CID 158124498) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
PubChem CID158124498
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)O.S
InChIInChI=1S/C6H9N3O2.H2S/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H2/t5-;/m0./s1
InChIKeyFRZNWWDAAPMEKH-JEDNCBNOSA-N
XLogP-0.52
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane (CID 158124498) is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane is N[C@@H](Cc1cnc[nH]1)C(=O)O.S.
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane?
The InChIKey is FRZNWWDAAPMEKH-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H9N3O2.H2S/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H2/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane?
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane has a molecular weight of 189.24 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane is sourced from PubChem (CID 158124498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).