methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate

C18H21NO2 — CID 10589054

IUPACmethyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate
SMILESCOC(=O)CCCc1ccc([C@H](N)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-21-17(20)9-5-6-14-10-12-16(13-11-14)18(19)15-7-3-2-4-8-15/h2-4,7-8,10-13,18H,5-6,9,19H2,1H3/t18-/m1/s1
InChIKeyBXVWXVGUFAJVFX-GOSISDBHSA-N
MW283.37 g/mol
LogP3.23
Rot. Bonds6

About methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate

methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate (PubChem CID 10589054) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate
PubChem CID10589054
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate
SMILESCOC(=O)CCCc1ccc([C@H](N)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-21-17(20)9-5-6-14-10-12-16(13-11-14)18(19)15-7-3-2-4-8-15/h2-4,7-8,10-13,18H,5-6,9,19H2,1H3/t18-/m1/s1
InChIKeyBXVWXVGUFAJVFX-GOSISDBHSA-N
XLogP3.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677
methyl 4-[4-[(R)-azido(phenyl)methyl]phenyl]butanoate
CID 10733679
methyl 4-[4-(1-hydroxy-3-methylbutyl)phenyl]butanoate
CID 10778043
methyl 7-amino-7-phenylheptanoate
CID 139616773
methyl 4-[4-(2-bromoethyl)phenyl]butanoate
CID 174537803
methyl 5,5-diphenylpentanoate
CID 10923549
methyl 4-[4-(1-chlorobutyl)phenyl]butanoate
CID 10588009
methyl 4-[4-(1-azidopropyl)phenyl]butanoate
CID 10635156
methyl 4-[4-[1-(benzenesulfonamido)-2-phenylethyl]phenyl]butanoate
CID 23353880
methyl 4-[4-(1-chloropentyl)phenyl]butanoate
CID 10826801
methyl 3-oxo-6-phenylhexanoate
CID 12701554
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate?
The IUPAC name of methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate (CID 10589054) is methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate.
What is the SMILES notation for methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate?
The canonical SMILES for methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate is COC(=O)CCCc1ccc([C@H](N)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate?
The InChIKey is BXVWXVGUFAJVFX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-17(20)9-5-6-14-10-12-16(13-11-14)18(19)15-7-3-2-4-8-15/h2-4,7-8,10-13,18H,5-6,9,19H2,1H3/t18-/m1/s1.
What are the key properties of methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate?
methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate has a molecular weight of 283.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate is sourced from PubChem (CID 10589054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).