butyl 2-amino-3-hydroxy-5-phenylpentanoate

C15H23NO3 — CID 152627714

IUPACbutyl 2-amino-3-hydroxy-5-phenylpentanoate
SMILESCCCCOC(=O)C(N)C(O)CCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-3-11-19-15(18)14(16)13(17)10-9-12-7-5-4-6-8-12/h4-8,13-14,17H,2-3,9-11,16H2,1H3
InChIKeyZCWFQDHSOFGVPX-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.65
Rot. Bonds8

About butyl 2-amino-3-hydroxy-5-phenylpentanoate

butyl 2-amino-3-hydroxy-5-phenylpentanoate (PubChem CID 152627714) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is butyl 2-amino-3-hydroxy-5-phenylpentanoate.

Molecular Properties

Compound Namebutyl 2-amino-3-hydroxy-5-phenylpentanoate
PubChem CID152627714
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namebutyl 2-amino-3-hydroxy-5-phenylpentanoate
SMILESCCCCOC(=O)C(N)C(O)CCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-3-11-19-15(18)14(16)13(17)10-9-12-7-5-4-6-8-12/h4-8,13-14,17H,2-3,9-11,16H2,1H3
InChIKeyZCWFQDHSOFGVPX-UHFFFAOYSA-N
XLogP1.65
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 2-amino-3-hydroxy-5-phenylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptyl (2S)-2-amino-4-phenylbutanoate
CID 104983534
octyl 2-amino-4-phenylbutanoate
CID 3071082
pentyl 3-oxo-2-(2-phenylethyl)butanoate
CID 18370478
butyl (2S)-2-amino-3-phenylpropanoate
CID 11402655
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
butyl 3-phenyl-2-sulfanylpropanoate
CID 107018160
3-phenylpropyl 2-heptylundecanoate
CID 129279131
4-phenylbutyl 2-heptylundecanoate
CID 129279311
butyl (3S)-3-amino-4-oxo-4-(2-phenylethylamino)butanoate
CID 165343799
(2S,3R)-2-amino-3-hydroxy-N-oxo-5-phenylpentanamide
CID 170035397
3-methoxypropyl (2S)-2-amino-4-phenylbutanoate
CID 104983520
4-phenylbutyl 2-butyloctanoate
CID 129279338

Frequently Asked Questions

What is the IUPAC name of butyl 2-amino-3-hydroxy-5-phenylpentanoate?
The IUPAC name of butyl 2-amino-3-hydroxy-5-phenylpentanoate (CID 152627714) is butyl 2-amino-3-hydroxy-5-phenylpentanoate.
What is the SMILES notation for butyl 2-amino-3-hydroxy-5-phenylpentanoate?
The canonical SMILES for butyl 2-amino-3-hydroxy-5-phenylpentanoate is CCCCOC(=O)C(N)C(O)CCc1ccccc1.
What is the InChIKey of butyl 2-amino-3-hydroxy-5-phenylpentanoate?
The InChIKey is ZCWFQDHSOFGVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-11-19-15(18)14(16)13(17)10-9-12-7-5-4-6-8-12/h4-8,13-14,17H,2-3,9-11,16H2,1H3.
What are the key properties of butyl 2-amino-3-hydroxy-5-phenylpentanoate?
butyl 2-amino-3-hydroxy-5-phenylpentanoate has a molecular weight of 265.35 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-amino-3-hydroxy-5-phenylpentanoate is sourced from PubChem (CID 152627714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).