amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium

C8H14N3O3Y- — CID 162519154

IUPACamino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium
SMILESC=CC(=O)NC(CCC[N-]N)C(=O)O.[Y]
InChIInChI=1S/C8H14N3O3.Y/c1-2-7(12)11-6(8(13)14)4-3-5-10-9;/h2,6H,1,3-5,9H2,(H,11,12)(H,13,14);/q-1;
InChIKeyWFGPVMGRKORNFE-UHFFFAOYSA-N
MW289.12 g/mol
LogP-0.23
Rot. Bonds7

About amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium

amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium (PubChem CID 162519154) has the molecular formula C8H14N3O3Y- and a molecular weight of 289.12 g/mol. Its IUPAC name is amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium.

Molecular Properties

Compound Nameamino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium
PubChem CID162519154
Molecular FormulaC8H14N3O3Y-
Molecular Weight289.12 g/mol
Exact Mass289.01
IUPAC Nameamino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium
SMILESC=CC(=O)NC(CCC[N-]N)C(=O)O.[Y]
InChIInChI=1S/C8H14N3O3.Y/c1-2-7(12)11-6(8(13)14)4-3-5-10-9;/h2,6H,1,3-5,9H2,(H,11,12)(H,13,14);/q-1;
InChIKeyWFGPVMGRKORNFE-UHFFFAOYSA-N
XLogP-0.23
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-amino-5-oxo-2-(prop-2-enoylamino)pentanoic acid
CID 28170985
2-Amino-5-(prop-2-enoylamino)pentanoic acid
CID 10197981
(2S)-2-amino-5-(prop-2-enoylamino)pentanoic acid
CID 11654969
2-(Prop-2-enoylamino)pentanoic acid
CID 18798141
5-(Carbamoylamino)-2-(prop-2-enoylamino)pentanoic acid
CID 18798148
5-Amino-5-oxo-2-(prop-2-enoylamino)pentanoic acid
CID 18798166
(2S)-2-(prop-2-enoylamino)pentanoic acid
CID 53676552
(2S)-2,5-bis(prop-2-enoylamino)pentanoic acid
CID 53734428
(2S)-5-amino-2-(but-2-enoylamino)pentanoic acid
CID 53995790
(2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid
CID 54422723
(2S)-5-(carbamoylamino)-2-(prop-2-enoylamino)pentanoic acid
CID 54453180
2-[Bis(2-carboxyethyl)amino]-5-(prop-2-enoylamino)pentanoic acid
CID 59012786

Frequently Asked Questions

What is the IUPAC name of amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium?
The IUPAC name of amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium (CID 162519154) is amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium.
What is the SMILES notation for amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium?
The canonical SMILES for amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium is C=CC(=O)NC(CCC[N-]N)C(=O)O.[Y].
What is the InChIKey of amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium?
The InChIKey is WFGPVMGRKORNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N3O3.Y/c1-2-7(12)11-6(8(13)14)4-3-5-10-9;/h2,6H,1,3-5,9H2,(H,11,12)(H,13,14);/q-1;.
What are the key properties of amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium?
amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium has a molecular weight of 289.12 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium is sourced from PubChem (CID 162519154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).