2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid

C13H19NO3 — CID 106489383

IUPAC2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid
SMILESCC(CO)CC(CN)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(8-15)7-13(9-14,12(16)17)11-5-3-2-4-6-11/h2-6,10,15H,7-9,14H2,1H3,(H,16,17)
InChIKeyVDZDWDUKNYFVFT-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.99
Rot. Bonds6

About 2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid

2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid (PubChem CID 106489383) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid
PubChem CID106489383
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid
SMILESCC(CO)CC(CN)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(8-15)7-13(9-14,12(16)17)11-5-3-2-4-6-11/h2-6,10,15H,7-9,14H2,1H3,(H,16,17)
InChIKeyVDZDWDUKNYFVFT-UHFFFAOYSA-N
XLogP0.99
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid
CID 106489296
2-(aminomethyl)-4-hydroxy-2-(3-methylphenyl)pentanoic acid
CID 106490768
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
CID 106489364
2-(aminomethyl)-4,4-difluoro-2-(4-methylphenyl)butanoic acid
CID 106509226
2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
CID 106489362
2-(aminomethyl)-4-ethoxy-2-phenylbutanoic acid
CID 106489363
4-amino-2,3-dimethyl-2-phenylbutanoic acid
CID 143150739
2-(aminomethyl)-4-(1-methylpyrazol-4-yl)-2-phenylbutanoic acid
CID 106489399
2-(aminomethyl)-3-(6-methyl-2-pyridinyl)-2-phenylpropanoic acid
CID 106489334
2-(aminomethyl)-5-(2-methoxyethoxy)-2-phenylpentanoic acid
CID 106489358
benzoic acid;bis(propane-1,2,3-triol)
CID 68987923

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid?
The IUPAC name of 2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid (CID 106489383) is 2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid?
The canonical SMILES for 2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid is CC(CO)CC(CN)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid?
The InChIKey is VDZDWDUKNYFVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(8-15)7-13(9-14,12(16)17)11-5-3-2-4-6-11/h2-6,10,15H,7-9,14H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid?
2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid is sourced from PubChem (CID 106489383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).