benzyl 2-amino-4-phenoxybutanoate

C17H19NO3 — CID 174617727

IUPACbenzyl 2-amino-4-phenoxybutanoate
SMILESNC(CCOc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO3/c18-16(11-12-20-15-9-5-2-6-10-15)17(19)21-13-14-7-3-1-4-8-14/h1-10,16H,11-13,18H2
InChIKeyOCCMNLPMXPCXEZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.53
Rot. Bonds7

About benzyl 2-amino-4-phenoxybutanoate

benzyl 2-amino-4-phenoxybutanoate (PubChem CID 174617727) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is benzyl 2-amino-4-phenoxybutanoate.

Molecular Properties

Compound Namebenzyl 2-amino-4-phenoxybutanoate
PubChem CID174617727
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namebenzyl 2-amino-4-phenoxybutanoate
SMILESNC(CCOc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO3/c18-16(11-12-20-15-9-5-2-6-10-15)17(19)21-13-14-7-3-1-4-8-14/h1-10,16H,11-13,18H2
InChIKeyOCCMNLPMXPCXEZ-UHFFFAOYSA-N
XLogP2.53
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 2-amino-4-phenoxybutanoate 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

benzyl 2-amino-7-(4-phenoxyphenoxy)heptanoate
CID 67648330
benzyl 2-amino-4-methoxybutanoate
CID 62479875
benzyl 2-amino-4-iodobutanoate
CID 141050594
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
benzyl (2S)-2-amino-4-(difluoromethoxy)butanoate
CID 67991507
benzyl (2S)-2-amino-4-bromobutanoate
CID 67264849
benzyl 2-amino-4-bromobutanoate
CID 18467389
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
CID 70487944
benzyl 2,3-diaminopropanoate
CID 19891176
(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate
CID 53249735
benzyl (2S)-2-amino-4-methylsulfonylbutanoate
CID 22869170

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-4-phenoxybutanoate?
The IUPAC name of benzyl 2-amino-4-phenoxybutanoate (CID 174617727) is benzyl 2-amino-4-phenoxybutanoate.
What is the SMILES notation for benzyl 2-amino-4-phenoxybutanoate?
The canonical SMILES for benzyl 2-amino-4-phenoxybutanoate is NC(CCOc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-4-phenoxybutanoate?
The InChIKey is OCCMNLPMXPCXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c18-16(11-12-20-15-9-5-2-6-10-15)17(19)21-13-14-7-3-1-4-8-14/h1-10,16H,11-13,18H2.
What are the key properties of benzyl 2-amino-4-phenoxybutanoate?
benzyl 2-amino-4-phenoxybutanoate has a molecular weight of 285.34 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-4-phenoxybutanoate is sourced from PubChem (CID 174617727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).