aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium

C14H22N4O5Y-2 — CID 168967575

IUPACaminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium
SMILES[NH-]CCCCC(=O)NC(Cc1ccc(O)c(O)c1)C(=O)O.[NH-]N.[Y]
InChIInChI=1S/C14H19N2O5.H3N2.Y/c15-6-2-1-3-13(19)16-10(14(20)21)7-9-4-5-11(17)12(18)8-9;1-2;/h4-5,8,10,15,17-18H,1-3,6-7H2,(H,16,19)(H,20,21);1H,2H2;/q2*-1;
InChIKeyWBRFIRNBMUTYCI-UHFFFAOYSA-N
MW415.26 g/mol
LogP1.34
Rot. Bonds8

About aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium

aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium (PubChem CID 168967575) has the molecular formula C14H22N4O5Y-2 and a molecular weight of 415.26 g/mol. Its IUPAC name is aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium.

Molecular Properties

Compound Nameaminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium
PubChem CID168967575
Molecular FormulaC14H22N4O5Y-2
Molecular Weight415.26 g/mol
Exact Mass415.07
IUPAC Nameaminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium
SMILES[NH-]CCCCC(=O)NC(Cc1ccc(O)c(O)c1)C(=O)O.[NH-]N.[Y]
InChIInChI=1S/C14H19N2O5.H3N2.Y/c15-6-2-1-3-13(19)16-10(14(20)21)7-9-4-5-11(17)12(18)8-9;1-2;/h4-5,8,10,15,17-18H,1-3,6-7H2,(H,16,19)(H,20,21);1H,2H2;/q2*-1;
InChIKeyWBRFIRNBMUTYCI-UHFFFAOYSA-N
XLogP1.34
TPSA180.48 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.26
LogP ≤ 51.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(3,4-dihydroxyphenyl)-2-[[(Z)-hexadec-9-enoyl]amino]propanoic acid
CID 171116762
(2S)-3-(3,4-dihydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanoic acid
CID 175272365
(2S)-3-(3,4-dihydroxyphenyl)-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid
CID 171116777
(2S)-2-(3-acetylsulfanylpropanoylamino)-3-(3,4-dihydroxyphenyl)propanoic acid
CID 88752991
2-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]carbamoyloxycarbonylamino]-3-(3,4-dihydroxyphenyl)propanoic acid
CID 175283276
(2S)-2-[(1-aminocyclopropanecarbonyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid
CID 24738911
3-(3,4-dihydroxyphenyl)-2-(2-methylpropanoylamino)propanoic acid
CID 61069314
2-(2-aminoethylcarbamoylamino)-3-(3,4-dihydroxyphenyl)propanoic acid
CID 61403134
2-(6-aminohexanoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61156802
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2S)-3-(3,4-dihydroxyphenyl)-2-(sulfamoylamino)propanoic acid
CID 104985718

Frequently Asked Questions

What is the IUPAC name of aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium?
The IUPAC name of aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium (CID 168967575) is aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium.
What is the SMILES notation for aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium?
The canonical SMILES for aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium is [NH-]CCCCC(=O)NC(Cc1ccc(O)c(O)c1)C(=O)O.[NH-]N.[Y].
What is the InChIKey of aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium?
The InChIKey is WBRFIRNBMUTYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2O5.H3N2.Y/c15-6-2-1-3-13(19)16-10(14(20)21)7-9-4-5-11(17)12(18)8-9;1-2;/h4-5,8,10,15,17-18H,1-3,6-7H2,(H,16,19)(H,20,21);1H,2H2;/q2*-1;.
What are the key properties of aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium?
aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium has a molecular weight of 415.26 g/mol, XLogP of 1.34, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminoazanide;[5-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]amino]-5-oxopentyl]azanide;yttrium is sourced from PubChem (CID 168967575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).