carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+)

C13H17NO3U — CID 18334356

IUPACcarbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+)
SMILESCC(CC(=O)O)NC(=O)Cc1cc[c-]cc1.[CH3-].[U+2]
InChIInChI=1S/C12H14NO3.CH3.U/c1-9(7-12(15)16)13-11(14)8-10-5-3-2-4-6-10;;/h3-6,9H,7-8H2,1H3,(H,13,14)(H,15,16);1H3;/q2*-1;+2
InChIKeyRTTDFBLBHOQDGK-UHFFFAOYSA-N
MW473.31 g/mol
LogP1.46
Rot. Bonds5

About carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+)

carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+) (PubChem CID 18334356) has the molecular formula C13H17NO3U and a molecular weight of 473.31 g/mol. Its IUPAC name is carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+).

Molecular Properties

Compound Namecarbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+)
PubChem CID18334356
Molecular FormulaC13H17NO3U
Molecular Weight473.31 g/mol
Exact Mass473.17
IUPAC Namecarbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+)
SMILESCC(CC(=O)O)NC(=O)Cc1cc[c-]cc1.[CH3-].[U+2]
InChIInChI=1S/C12H14NO3.CH3.U/c1-9(7-12(15)16)13-11(14)8-10-5-3-2-4-6-10;;/h3-6,9H,7-8H2,1H3,(H,13,14)(H,15,16);1H3;/q2*-1;+2
InChIKeyRTTDFBLBHOQDGK-UHFFFAOYSA-N
XLogP1.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+)?
The IUPAC name of carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+) (CID 18334356) is carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+).
What is the SMILES notation for carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+)?
The canonical SMILES for carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+) is CC(CC(=O)O)NC(=O)Cc1cc[c-]cc1.[CH3-].[U+2].
What is the InChIKey of carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+)?
The InChIKey is RTTDFBLBHOQDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO3.CH3.U/c1-9(7-12(15)16)13-11(14)8-10-5-3-2-4-6-10;;/h3-6,9H,7-8H2,1H3,(H,13,14)(H,15,16);1H3;/q2*-1;+2.
What are the key properties of carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+)?
carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+) has a molecular weight of 473.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-[(2-phenylacetyl)amino]butanoic acid;uranium(2+) is sourced from PubChem (CID 18334356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).