tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate

C15H23NO3 — CID 142451328

IUPACtert-butyl 4-amino-3-(2-methoxyphenyl)butanoate
SMILESCOc1ccccc1C(CN)CC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(17)9-11(10-16)12-7-5-6-8-13(12)18-4/h5-8,11H,9-10,16H2,1-4H3
InChIKeyWDQZAQLHLGUXLW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.47
Rot. Bonds5

About tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate

tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate (PubChem CID 142451328) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate.

Molecular Properties

Compound Nametert-butyl 4-amino-3-(2-methoxyphenyl)butanoate
PubChem CID142451328
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 4-amino-3-(2-methoxyphenyl)butanoate
SMILESCOc1ccccc1C(CN)CC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(17)9-11(10-16)12-7-5-6-8-13(12)18-4/h5-8,11H,9-10,16H2,1-4H3
InChIKeyWDQZAQLHLGUXLW-UHFFFAOYSA-N
XLogP2.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate
CID 142451308
1-O-[(2S)-1,1-bis(2-methoxyphenyl)propan-2-yl] 4-O-tert-butyl (2R)-2-methylbutanedioate
CID 161234152
tert-butyl 5-amino-4-[2-(difluoromethoxy)phenyl]pentanoate
CID 142451403
methyl 4-amino-3-[2-(difluoromethoxy)phenyl]butanoate
CID 66098301
3-(2-methoxyphenyl)pentanediamide
CID 20546356
tert-butyl 3-(2-methoxyphenyl)sulfanylpropanoate
CID 113227654
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
tert-butyl (3S)-3-hydroxy-3-(2-methoxyphenyl)butanoate
CID 125467754
tert-butyl 4-cyano-4-(2-methoxyphenyl)butanoate
CID 142451263
tert-butyl 4-amino-3-(4-pyridin-2-ylphenyl)butanoate
CID 57256728
tert-butyl (3S)-3-amino-3-(2-bromophenyl)propanoate
CID 11130344
tert-butyl (4S)-5-amino-4-(3,4-dimethoxyphenyl)pentanoate
CID 59914280

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate?
The IUPAC name of tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate (CID 142451328) is tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate.
What is the SMILES notation for tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate?
The canonical SMILES for tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate is COc1ccccc1C(CN)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate?
The InChIKey is WDQZAQLHLGUXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)19-14(17)9-11(10-16)12-7-5-6-8-13(12)18-4/h5-8,11H,9-10,16H2,1-4H3.
What are the key properties of tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate?
tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate is sourced from PubChem (CID 142451328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).