methyl 4-amino-2-phenylpentanoate

C12H17NO2 — CID 57041145

IUPACmethyl 4-amino-2-phenylpentanoate
SMILESCOC(=O)C(CC(C)N)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(13)8-11(12(14)15-2)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3
InChIKeyNDRHHYZMHPKKOG-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.68
Rot. Bonds4

About methyl 4-amino-2-phenylpentanoate

methyl 4-amino-2-phenylpentanoate (PubChem CID 57041145) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 4-amino-2-phenylpentanoate.

Molecular Properties

Compound Namemethyl 4-amino-2-phenylpentanoate
PubChem CID57041145
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 4-amino-2-phenylpentanoate
SMILESCOC(=O)C(CC(C)N)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(13)8-11(12(14)15-2)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3
InChIKeyNDRHHYZMHPKKOG-UHFFFAOYSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-amino-2-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

methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl (2S,5R)-5-amino-6-methyl-4-oxo-2-phenylheptanoate;hydrochloride
CID 158768943
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
methyl 3-methylsulfinyl-2-phenylpropanoate
CID 64559431
methyl 3-methylsulfonyl-2-phenylpropanoate
CID 64560571
methyl 2-phenylheptanoate
CID 143443478
methyl 2-phenyl-3-trimethylsilyloxypropanoate
CID 552740
methyl 2-phenylhex-4-enoate
CID 141185877
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687
methyl 3-[bis(2-amino-2-oxoethyl)amino]-2-phenylpropanoate
CID 64567726
methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate
CID 64565444
methyl 6-oxo-2,5-diphenylhexanoate
CID 175142316

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-phenylpentanoate?
The IUPAC name of methyl 4-amino-2-phenylpentanoate (CID 57041145) is methyl 4-amino-2-phenylpentanoate.
What is the SMILES notation for methyl 4-amino-2-phenylpentanoate?
The canonical SMILES for methyl 4-amino-2-phenylpentanoate is COC(=O)C(CC(C)N)c1ccccc1.
What is the InChIKey of methyl 4-amino-2-phenylpentanoate?
The InChIKey is NDRHHYZMHPKKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13)8-11(12(14)15-2)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3.
What are the key properties of methyl 4-amino-2-phenylpentanoate?
methyl 4-amino-2-phenylpentanoate has a molecular weight of 207.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-phenylpentanoate is sourced from PubChem (CID 57041145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).