methyl (3S)-3-amino-5-phenylpentanoate

C12H17NO2 — CID 11183366

IUPACmethyl (3S)-3-amino-5-phenylpentanoate
SMILESCOC(=O)C[C@@H](N)CCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-15-12(14)9-11(13)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3/t11-/m0/s1
InChIKeyXSSNVSFNSNFGFA-NSHDSACASA-N
MW207.27 g/mol
LogP1.51
Rot. Bonds5

About methyl (3S)-3-amino-5-phenylpentanoate

methyl (3S)-3-amino-5-phenylpentanoate (PubChem CID 11183366) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl (3S)-3-amino-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl (3S)-3-amino-5-phenylpentanoate
PubChem CID11183366
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl (3S)-3-amino-5-phenylpentanoate
SMILESCOC(=O)C[C@@H](N)CCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-15-12(14)9-11(13)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3/t11-/m0/s1
InChIKeyXSSNVSFNSNFGFA-NSHDSACASA-N
XLogP1.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-amino-5-phenylpentanoate?
The IUPAC name of methyl (3S)-3-amino-5-phenylpentanoate (CID 11183366) is methyl (3S)-3-amino-5-phenylpentanoate.
What is the SMILES notation for methyl (3S)-3-amino-5-phenylpentanoate?
The canonical SMILES for methyl (3S)-3-amino-5-phenylpentanoate is COC(=O)C[C@@H](N)CCc1ccccc1.
What is the InChIKey of methyl (3S)-3-amino-5-phenylpentanoate?
The InChIKey is XSSNVSFNSNFGFA-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-12(14)9-11(13)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3/t11-/m0/s1.
What are the key properties of methyl (3S)-3-amino-5-phenylpentanoate?
methyl (3S)-3-amino-5-phenylpentanoate has a molecular weight of 207.27 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-amino-5-phenylpentanoate is sourced from PubChem (CID 11183366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).