[(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium

C7H15N3O2Y-2 — CID 59978126

IUPAC[(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium
SMILESCC[C@@H](N)C(=O)[N-]C.CN[C-]=O.[Y]
InChIInChI=1S/C5H12N2O.C2H4NO.Y/c1-3-4(6)5(8)7-2;1-3-2-4;/h4H,3,6H2,1-2H3,(H,7,8);1H3,(H,3,4);/q;-1;/p-1/t4-;;/m1../s1
InChIKeyKXHXRRANJBZWMA-RZFWHQLPSA-M
MW262.12 g/mol
LogP-0.48
Rot. Bonds3

About [(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium

[(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium (PubChem CID 59978126) has the molecular formula C7H15N3O2Y-2 and a molecular weight of 262.12 g/mol. Its IUPAC name is [(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium.

Molecular Properties

Compound Name[(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium
PubChem CID59978126
Molecular FormulaC7H15N3O2Y-2
Molecular Weight262.12 g/mol
Exact Mass262.02
IUPAC Name[(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium
SMILESCC[C@@H](N)C(=O)[N-]C.CN[C-]=O.[Y]
InChIInChI=1S/C5H12N2O.C2H4NO.Y/c1-3-4(6)5(8)7-2;1-3-2-4;/h4H,3,6H2,1-2H3,(H,7,8);1H3,(H,3,4);/q;-1;/p-1/t4-;;/m1../s1
InChIKeyKXHXRRANJBZWMA-RZFWHQLPSA-M
XLogP-0.48
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium
CID 59978114
(2R)-2-amino-N-methylbutanamide
CID 14888796
ethane;methyl(2-methylbutanoyl)azanide;yttrium
CID 177048514
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
2-aminobutanamide;hydrochloride
CID 14333659
2-aminobutanoic acid;ethane
CID 90764297
2-aminobutanoic acid;sulfane
CID 162128083
aluminum 2-aminobutanoic acid
CID 19792235
2-aminobutanoyl(trihydroxy)phosphanium
CID 91357159
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922
2-amino-N-but-2-ynylbutanamide
CID 115976942
2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43649575

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium?
The IUPAC name of [(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium (CID 59978126) is [(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium.
What is the SMILES notation for [(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium?
The canonical SMILES for [(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium is CC[C@@H](N)C(=O)[N-]C.CN[C-]=O.[Y].
What is the InChIKey of [(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium?
The InChIKey is KXHXRRANJBZWMA-RZFWHQLPSA-M. The full InChI is InChI=1S/C5H12N2O.C2H4NO.Y/c1-3-4(6)5(8)7-2;1-3-2-4;/h4H,3,6H2,1-2H3,(H,7,8);1H3,(H,3,4);/q;-1;/p-1/t4-;;/m1../s1.
What are the key properties of [(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium?
[(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium has a molecular weight of 262.12 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium is sourced from PubChem (CID 59978126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).