CID 162466097

C10H15AuN8O6 — CID 162466097

IUPAC—
SMILESN/C(=N\CCC[C@H](NC(=O)OCc1[c-]nn[nH]1)C(=O)O)N[N+](=O)[O-].[Au+]
InChIInChI=1S/C10H15N8O6.Au/c11-9(16-18(22)23)12-3-1-2-7(8(19)20)14-10(21)24-5-6-4-13-17-15-6;/h7H,1-3,5H2,(H,14,21)(H,19,20)(H3,11,12,16)(H,13,15,17);/q-1;+1/t7-;/m0./s1
InChIKeyFYOUCLWCURSYKV-FJXQXJEOSA-N
MW540.25 g/mol
LogP-1.84
Rot. Bonds9

About CID 162466097

CID 162466097 (PubChem CID 162466097) has the molecular formula C10H15AuN8O6 and a molecular weight of 540.25 g/mol.

Molecular Properties

Compound NameCID 162466097
PubChem CID162466097
Molecular FormulaC10H15AuN8O6
Molecular Weight540.25 g/mol
Exact Mass540.08
IUPAC Name—
SMILESN/C(=N\CCC[C@H](NC(=O)OCc1[c-]nn[nH]1)C(=O)O)N[N+](=O)[O-].[Au+]
InChIInChI=1S/C10H15N8O6.Au/c11-9(16-18(22)23)12-3-1-2-7(8(19)20)14-10(21)24-5-6-4-13-17-15-6;/h7H,1-3,5H2,(H,14,21)(H,19,20)(H3,11,12,16)(H,13,15,17);/q-1;+1/t7-;/m0./s1
InChIKeyFYOUCLWCURSYKV-FJXQXJEOSA-N
XLogP-1.84
TPSA210.75 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.25
LogP ≤ 5-1.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

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(2S)-5-[[amino(nitramido)methylidene]amino]-2-(methylamino)pentanoic acid;hydrochloride
CID 170844430
tert-butyl (2S)-5-[[amino(nitramido)methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoate
CID 169435301
(2S)-5-(diaminomethylideneamino)-2-[(4-nitrophenyl)methoxycarbonylamino]pentanoic acid
CID 15157519
(2R)-5-[[amino(nitramido)methylidene]amino]-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoic acid
CID 10528199
methyl 5-[[amino(nitramido)methylidene]amino]-2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]pentanoate
CID 117065895
[[N'-[(4R)-4-carboxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamimidoyl]amino]-hydroxy-oxoazanium
CID 86222746
CID 161212655
CID 161212655
hexadecyl N-[(2S)-5-[[amino(nitramido)methylidene]amino]-1-(dodecylamino)-1-oxopentan-2-yl]carbamate
CID 135363996
hexadecyl N-[5-[[amino(nitramido)methylidene]amino]-1-(dodecylamino)-1-oxopentan-2-yl]carbamate
CID 135365577
5-[[amino(nitramido)methylidene]amino]-2-[[4-(5-sulfanylidenedithiolan-3-yl)phenoxy]carbonylamino]pentanoic acid
CID 23654422
(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid
CID 25155211

Frequently Asked Questions

What is the IUPAC name of CID 162466097?
The IUPAC name of CID 162466097 (CID 162466097) is not available.
What is the SMILES notation for CID 162466097?
The canonical SMILES for CID 162466097 is N/C(=N\CCC[C@H](NC(=O)OCc1[c-]nn[nH]1)C(=O)O)N[N+](=O)[O-].[Au+].
What is the InChIKey of CID 162466097?
The InChIKey is FYOUCLWCURSYKV-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H15N8O6.Au/c11-9(16-18(22)23)12-3-1-2-7(8(19)20)14-10(21)24-5-6-4-13-17-15-6;/h7H,1-3,5H2,(H,14,21)(H,19,20)(H3,11,12,16)(H,13,15,17);/q-1;+1/t7-;/m0./s1.
What are the key properties of CID 162466097?
CID 162466097 has a molecular weight of 540.25 g/mol, XLogP of -1.84, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162466097 is sourced from PubChem (CID 162466097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).