CID 162305209

C6H8ClN3NaO2 — CID 162305209

IUPAC—
SMILESO=C(O)[C@H](Cc1cnc[nH]1)NCl.[Na]
InChIInChI=1S/C6H8ClN3O2.Na/c7-10-5(6(11)12)1-4-2-8-3-9-4;/h2-3,5,10H,1H2,(H,8,9)(H,11,12);/t5-;/m0./s1
InChIKeyPZAVCYCWFVOGSS-JEDNCBNOSA-N
MW212.59 g/mol
LogP-0.23
Rot. Bonds4

About CID 162305209

CID 162305209 (PubChem CID 162305209) has the molecular formula C6H8ClN3NaO2 and a molecular weight of 212.59 g/mol.

Molecular Properties

Compound NameCID 162305209
PubChem CID162305209
Molecular FormulaC6H8ClN3NaO2
Molecular Weight212.59 g/mol
Exact Mass212.02
IUPAC Name—
SMILESO=C(O)[C@H](Cc1cnc[nH]1)NCl.[Na]
InChIInChI=1S/C6H8ClN3O2.Na/c7-10-5(6(11)12)1-4-2-8-3-9-4;/h2-3,5,10H,1H2,(H,8,9)(H,11,12);/t5-;/m0./s1
InChIKeyPZAVCYCWFVOGSS-JEDNCBNOSA-N
XLogP-0.23
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.59
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18495992
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CID 14308140
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CID 30053681
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CID 61188865
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CID 28777519
2-[[2-[[2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18235924
5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 162305209?
The IUPAC name of CID 162305209 (CID 162305209) is not available.
What is the SMILES notation for CID 162305209?
The canonical SMILES for CID 162305209 is O=C(O)[C@H](Cc1cnc[nH]1)NCl.[Na].
What is the InChIKey of CID 162305209?
The InChIKey is PZAVCYCWFVOGSS-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H8ClN3O2.Na/c7-10-5(6(11)12)1-4-2-8-3-9-4;/h2-3,5,10H,1H2,(H,8,9)(H,11,12);/t5-;/m0./s1.
What are the key properties of CID 162305209?
CID 162305209 has a molecular weight of 212.59 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162305209 is sourced from PubChem (CID 162305209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).