carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)

C10H22CeNO4 — CID 166560279

IUPACcarbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
SMILESCC(C)(C)[C@H](NC(=O)O)C(=O)O.[CH3-].[CH3-].[CH3-].[Ce+3]
InChIInChI=1S/C7H13NO4.3CH3.Ce/c1-7(2,3)4(5(9)10)8-6(11)12;;;;/h4,8H,1-3H3,(H,9,10)(H,11,12);3*1H3;/q;3*-1;+3/t4-;;;;/m1..../s1
InChIKeyLDZPZYBMVFLGEH-KWRROICRSA-N
MW360.41 g/mol
LogP2.10
Rot. Bonds2

About carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)

carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+) (PubChem CID 166560279) has the molecular formula C10H22CeNO4 and a molecular weight of 360.41 g/mol. Its IUPAC name is carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+).

Molecular Properties

Compound Namecarbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
PubChem CID166560279
Molecular FormulaC10H22CeNO4
Molecular Weight360.41 g/mol
Exact Mass360.06
IUPAC Namecarbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
SMILESCC(C)(C)[C@H](NC(=O)O)C(=O)O.[CH3-].[CH3-].[CH3-].[Ce+3]
InChIInChI=1S/C7H13NO4.3CH3.Ce/c1-7(2,3)4(5(9)10)8-6(11)12;;;;/h4,8H,1-3H3,(H,9,10)(H,11,12);3*1H3;/q;3*-1;+3/t4-;;;;/m1..../s1
InChIKeyLDZPZYBMVFLGEH-KWRROICRSA-N
XLogP2.10
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
(2S)-2-(2-ethylbutanoylamino)-3,3-dimethylbutanoic acid
CID 61143229
2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 107471760
(2S)-2-[2-(aminomethyl)butanoylamino]-3,3-dimethylbutanoic acid
CID 65228808
(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205
hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 86656444
2-[2-(aminomethyl)pentanoylamino]-3,3-dimethylbutanoic acid
CID 65229352
3,3-dimethyl-2-(methylamino)butanoic acid;ethane
CID 143824756
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
(2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 46737712
(2S)-3,3-dimethyl-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 61144091

Frequently Asked Questions

What is the IUPAC name of carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)?
The IUPAC name of carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+) (CID 166560279) is carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+).
What is the SMILES notation for carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)?
The canonical SMILES for carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+) is CC(C)(C)[C@H](NC(=O)O)C(=O)O.[CH3-].[CH3-].[CH3-].[Ce+3].
What is the InChIKey of carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)?
The InChIKey is LDZPZYBMVFLGEH-KWRROICRSA-N. The full InChI is InChI=1S/C7H13NO4.3CH3.Ce/c1-7(2,3)4(5(9)10)8-6(11)12;;;;/h4,8H,1-3H3,(H,9,10)(H,11,12);3*1H3;/q;3*-1;+3/t4-;;;;/m1..../s1.
What are the key properties of carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)?
carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+) has a molecular weight of 360.41 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+) is sourced from PubChem (CID 166560279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).