[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium)

C41H44N8O24Y2-2 — CID 157295567

IUPAC[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium)
SMILESO=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])OCO.O=[N+]([O-])OCO.[NH-]C(=O)C(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.[NH-]C(=O)C(CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.[Y].[Y]
InChIInChI=1S/C20H20N2O5.C19H18N2O5.2CH3NO4.2HNO3.2Y/c21-19(25)17(9-10-18(23)24)22-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;20-18(24)16(9-17(22)23)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;2*3-1-6-2(4)5;2*2-1(3)4;;/h1-8,16-17H,9-11H2,(H4,21,22,23,24,25,26);1-8,15-16H,9-10H2,(H4,20,21,22,23,24,25);2*3H,1H2;2*(H,2,3,4);;/p-2
InChIKeyWAWMTDGOBHXKES-UHFFFAOYSA-L
MW1210.65 g/mol
LogP3.87
Rot. Bonds17

About [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium)

[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium) (PubChem CID 157295567) has the molecular formula C41H44N8O24Y2-2 and a molecular weight of 1210.65 g/mol. Its IUPAC name is [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium).

Molecular Properties

Compound Name[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium)
PubChem CID157295567
Molecular FormulaC41H44N8O24Y2-2
Molecular Weight1210.65 g/mol
Exact Mass1210.06
IUPAC Name[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium)
SMILESO=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])OCO.O=[N+]([O-])OCO.[NH-]C(=O)C(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.[NH-]C(=O)C(CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.[Y].[Y]
InChIInChI=1S/C20H20N2O5.C19H18N2O5.2CH3NO4.2HNO3.2Y/c21-19(25)17(9-10-18(23)24)22-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;20-18(24)16(9-17(22)23)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;2*3-1-6-2(4)5;2*2-1(3)4;;/h1-8,16-17H,9-11H2,(H4,21,22,23,24,25,26);1-8,15-16H,9-10H2,(H4,20,21,22,23,24,25);2*3H,1H2;2*(H,2,3,4);;/p-2
InChIKeyWAWMTDGOBHXKES-UHFFFAOYSA-L
XLogP3.87
TPSA504.94 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001210.65
LogP ≤ 53.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium) with MolForge

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Related Compounds

[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium
CID 58164976
aminomethyl nitrate;4-carboxyoxy-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;5-carboxyoxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid;bis(nitric acid);bis(yttrium)
CID 162226365
(4S)-5-amino-4-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]-5-oxopentanoic acid
CID 175785725
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 67333230
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 75628880
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 10049854
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-hydroxyethylamino)-4-oxobutanoic acid
CID 167170098
(2S)-5-deuteriooxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
CID 175932295
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-nitrophenyl)propanoic acid
CID 2756116
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024

Frequently Asked Questions

What is the IUPAC name of [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium)?
The IUPAC name of [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium) (CID 157295567) is [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium).
What is the SMILES notation for [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium)?
The canonical SMILES for [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium) is O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])OCO.O=[N+]([O-])OCO.[NH-]C(=O)C(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.[NH-]C(=O)C(CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.[Y].[Y].
What is the InChIKey of [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium)?
The InChIKey is WAWMTDGOBHXKES-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H20N2O5.C19H18N2O5.2CH3NO4.2HNO3.2Y/c21-19(25)17(9-10-18(23)24)22-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;20-18(24)16(9-17(22)23)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;2*3-1-6-2(4)5;2*2-1(3)4;;/h1-8,16-17H,9-11H2,(H4,21,22,23,24,25,26);1-8,15-16H,9-10H2,(H4,20,21,22,23,24,25);2*3H,1H2;2*(H,2,3,4);;/p-2.
What are the key properties of [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium)?
[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium) has a molecular weight of 1210.65 g/mol, XLogP of 3.87, 17 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;[3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]azanide;hydroxymethyl nitrate;bis(nitric acid);bis(yttrium) is sourced from PubChem (CID 157295567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).