(2S)-2-amino-4-phenylbutanoic acid;bohrium

C10H13BhNO2 — CID 59366799

IUPAC(2S)-2-amino-4-phenylbutanoic acid;bohrium
SMILESN[C@@H](CCc1ccccc1)C(=O)O.[Bh]
InChIInChI=1S/C10H13NO2.Bh/c11-9(10(12)13)7-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);/t9-;/m0./s1
InChIKeyQZIOBUOUQWYHLA-FVGYRXGTSA-N
MW449.22 g/mol
LogP1.03
Rot. Bonds4

About (2S)-2-amino-4-phenylbutanoic acid;bohrium

(2S)-2-amino-4-phenylbutanoic acid;bohrium (PubChem CID 59366799) has the molecular formula C10H13BhNO2 and a molecular weight of 449.22 g/mol. Its IUPAC name is (2S)-2-amino-4-phenylbutanoic acid;bohrium.

Molecular Properties

Compound Name(2S)-2-amino-4-phenylbutanoic acid;bohrium
PubChem CID59366799
Molecular FormulaC10H13BhNO2
Molecular Weight449.22 g/mol
Exact Mass449.23
IUPAC Name(2S)-2-amino-4-phenylbutanoic acid;bohrium
SMILESN[C@@H](CCc1ccccc1)C(=O)O.[Bh]
InChIInChI=1S/C10H13NO2.Bh/c11-9(10(12)13)7-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);/t9-;/m0./s1
InChIKeyQZIOBUOUQWYHLA-FVGYRXGTSA-N
XLogP1.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-4-(4-iodophenyl)butanoic acid
CID 172894210
3-amino-5-phenylpentan-2-one;propane
CID 143988472
2-amino-7-phenylheptanoic acid
CID 85132413
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-4-phenylbutanoic acid
CID 138596629
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
2-amino-1,4-diphenylbutan-1-one;hydrochloride
CID 66915929
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
2-amino-4-(3-formylphenyl)butanoic acid
CID 118608231
3-amino-2-hydroxy-5-phenylpentanoic acid
CID 22182665
(2S,3S)-2-amino-3-(2-phenylethyl)butanedioic acid
CID 11218609
(2S)-2-amino-3-(2-phenylethyl)butanedioic acid
CID 58900334

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-phenylbutanoic acid;bohrium?
The IUPAC name of (2S)-2-amino-4-phenylbutanoic acid;bohrium (CID 59366799) is (2S)-2-amino-4-phenylbutanoic acid;bohrium.
What is the SMILES notation for (2S)-2-amino-4-phenylbutanoic acid;bohrium?
The canonical SMILES for (2S)-2-amino-4-phenylbutanoic acid;bohrium is N[C@@H](CCc1ccccc1)C(=O)O.[Bh].
What is the InChIKey of (2S)-2-amino-4-phenylbutanoic acid;bohrium?
The InChIKey is QZIOBUOUQWYHLA-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13NO2.Bh/c11-9(10(12)13)7-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-4-phenylbutanoic acid;bohrium?
(2S)-2-amino-4-phenylbutanoic acid;bohrium has a molecular weight of 449.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-phenylbutanoic acid;bohrium is sourced from PubChem (CID 59366799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).