methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate

C7H15NO3 — CID 143734993

IUPACmethyl (4R)-5-amino-4-hydroxy-2-methylpentanoate
SMILESCOC(=O)C(C)C[C@@H](O)CN
InChIInChI=1S/C7H15NO3/c1-5(7(10)11-2)3-6(9)4-8/h5-6,9H,3-4,8H2,1-2H3/t5?,6-/m1/s1
InChIKeyPVUJQQJFCTYROD-PRJDIBJQSA-N
MW161.20 g/mol
LogP-0.49
Rot. Bonds4

About methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate

methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate (PubChem CID 143734993) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate.

Molecular Properties

Compound Namemethyl (4R)-5-amino-4-hydroxy-2-methylpentanoate
PubChem CID143734993
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl (4R)-5-amino-4-hydroxy-2-methylpentanoate
SMILESCOC(=O)C(C)C[C@@H](O)CN
InChIInChI=1S/C7H15NO3/c1-5(7(10)11-2)3-6(9)4-8/h5-6,9H,3-4,8H2,1-2H3/t5?,6-/m1/s1
InChIKeyPVUJQQJFCTYROD-PRJDIBJQSA-N
XLogP-0.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate?
The IUPAC name of methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate (CID 143734993) is methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate.
What is the SMILES notation for methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate?
The canonical SMILES for methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate is COC(=O)C(C)C[C@@H](O)CN.
What is the InChIKey of methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate?
The InChIKey is PVUJQQJFCTYROD-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(7(10)11-2)3-6(9)4-8/h5-6,9H,3-4,8H2,1-2H3/t5?,6-/m1/s1.
What are the key properties of methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate?
methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate has a molecular weight of 161.20 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-5-amino-4-hydroxy-2-methylpentanoate is sourced from PubChem (CID 143734993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).