[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium

C20H20N3O8Y- — CID 58164976

IUPAC[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium
SMILESO=[N+]([O-])O.[NH-]C(=O)C(CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.[Y]
InChIInChI=1S/C20H20N2O5.HNO3.Y/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;2-1(3)4;/h1-8,16-17H,9-11H2,(H4,21,22,23,24,25,26);(H,2,3,4);/p-1
InChIKeyALKQIJWDYJUDIG-UHFFFAOYSA-M
MW519.30 g/mol
LogP2.99
Rot. Bonds7

About [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium

[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium (PubChem CID 58164976) has the molecular formula C20H20N3O8Y- and a molecular weight of 519.30 g/mol. Its IUPAC name is [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium.

Molecular Properties

Compound Name[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium
PubChem CID58164976
Molecular FormulaC20H20N3O8Y-
Molecular Weight519.30 g/mol
Exact Mass519.03
IUPAC Name[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium
SMILESO=[N+]([O-])O.[NH-]C(=O)C(CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.[Y]
InChIInChI=1S/C20H20N2O5.HNO3.Y/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;2-1(3)4;/h1-8,16-17H,9-11H2,(H4,21,22,23,24,25,26);(H,2,3,4);/p-1
InChIKeyALKQIJWDYJUDIG-UHFFFAOYSA-M
XLogP2.99
TPSA179.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.30
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[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
(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
(2S)-5-deuteriooxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
CID 175932295
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
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[1-(1-methoxyethoxy)ethoxy]-5-oxopentanoic acid
CID 67935182
(2S)-3-(2-carboxyethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 98006677
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
CID 17040097

Frequently Asked Questions

What is the IUPAC name of [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium?
The IUPAC name of [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium (CID 58164976) is [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium.
What is the SMILES notation for [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium?
The canonical SMILES for [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium is O=[N+]([O-])O.[NH-]C(=O)C(CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.[Y].
What is the InChIKey of [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium?
The InChIKey is ALKQIJWDYJUDIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20N2O5.HNO3.Y/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;2-1(3)4;/h1-8,16-17H,9-11H2,(H4,21,22,23,24,25,26);(H,2,3,4);/p-1.
What are the key properties of [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium?
[4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium has a molecular weight of 519.30 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azanide;nitric acid;yttrium is sourced from PubChem (CID 58164976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).