tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate

C13H19NO3 — CID 92840713

IUPACtert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
SMILESCOc1ccc([C@H](N)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(15)11(14)9-5-7-10(16-4)8-6-9/h5-8,11H,14H2,1-4H3/t11-/m0/s1
InChIKeyHHLVYXCZQVDRKB-NSHDSACASA-N
MW237.30 g/mol
LogP2.04
Rot. Bonds3

About tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate

tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate (PubChem CID 92840713) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
PubChem CID92840713
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
SMILESCOc1ccc([C@H](N)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(15)11(14)9-5-7-10(16-4)8-6-9/h5-8,11H,14H2,1-4H3/t11-/m0/s1
InChIKeyHHLVYXCZQVDRKB-NSHDSACASA-N
XLogP2.04
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl 2-amino-2-(4-bromophenyl)acetate
CID 90487455
(2R)-2-[amino-(4-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 57363280
CID 174697637
CID 174697637
tert-butyl (2S)-2-amino-2-(4-fluorophenyl)acetate
CID 151116250
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003
(2S)-2-amino-2-(4-methoxyphenyl)acetamide
CID 54341108
azane;tert-butyl 2-amino-2-[4-(aminomethyl)phenyl]acetate
CID 166772320
propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 163303603
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
3-[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 118703205
tert-butyl 2-(4-methoxyphenyl)sulfinylpropanoate
CID 66338151

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate?
The IUPAC name of tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate (CID 92840713) is tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate?
The canonical SMILES for tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate is COc1ccc([C@H](N)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate?
The InChIKey is HHLVYXCZQVDRKB-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-12(15)11(14)9-5-7-10(16-4)8-6-9/h5-8,11H,14H2,1-4H3/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate?
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate has a molecular weight of 237.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 92840713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).