2-amino-4-methylpentanoic acid;yttrium

C6H12NO2Y- — CID 59162877

IUPAC2-amino-4-methylpentanoic acid;yttrium
SMILESC[C-](C)CC(N)C(=O)O.[Y]
InChIInChI=1S/C6H12NO2.Y/c1-4(2)3-5(7)6(8)9;/h5H,3,7H2,1-2H3,(H,8,9);/q-1;
InChIKeyBMPUMDPDRGACNT-UHFFFAOYSA-N
MW219.07 g/mol
LogP0.40
Rot. Bonds3

About 2-amino-4-methylpentanoic acid;yttrium

2-amino-4-methylpentanoic acid;yttrium (PubChem CID 59162877) has the molecular formula C6H12NO2Y- and a molecular weight of 219.07 g/mol. Its IUPAC name is 2-amino-4-methylpentanoic acid;yttrium.

Molecular Properties

Compound Name2-amino-4-methylpentanoic acid;yttrium
PubChem CID59162877
Molecular FormulaC6H12NO2Y-
Molecular Weight219.07 g/mol
Exact Mass218.99
IUPAC Name2-amino-4-methylpentanoic acid;yttrium
SMILESC[C-](C)CC(N)C(=O)O.[Y]
InChIInChI=1S/C6H12NO2.Y/c1-4(2)3-5(7)6(8)9;/h5H,3,7H2,1-2H3,(H,8,9);/q-1;
InChIKeyBMPUMDPDRGACNT-UHFFFAOYSA-N
XLogP0.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 50.40
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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Related Compounds

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2-amino-3-sulfanylpropanoic acid chloride
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CID 102214571
(2S)-2-amino-3-aminosulfanylpropanoic acid
CID 175881815
2-aminobutanoic acid;ethane
CID 90764297
aluminum 2-aminobutanoic acid
CID 19792235
2-aminobutanoic acid;sulfane
CID 162128083
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2,3-diaminopropanoic acid
CID 160927094
2-amino-4,4-difluoropentanoic acid;hydrochloride
CID 87665395
(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid
CID 15227560

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpentanoic acid;yttrium?
The IUPAC name of 2-amino-4-methylpentanoic acid;yttrium (CID 59162877) is 2-amino-4-methylpentanoic acid;yttrium.
What is the SMILES notation for 2-amino-4-methylpentanoic acid;yttrium?
The canonical SMILES for 2-amino-4-methylpentanoic acid;yttrium is C[C-](C)CC(N)C(=O)O.[Y].
What is the InChIKey of 2-amino-4-methylpentanoic acid;yttrium?
The InChIKey is BMPUMDPDRGACNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2.Y/c1-4(2)3-5(7)6(8)9;/h5H,3,7H2,1-2H3,(H,8,9);/q-1;.
What are the key properties of 2-amino-4-methylpentanoic acid;yttrium?
2-amino-4-methylpentanoic acid;yttrium has a molecular weight of 219.07 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpentanoic acid;yttrium is sourced from PubChem (CID 59162877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).