(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate

C14H21NO3 — CID 61304700

IUPAC(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate
SMILESCOc1ccc(COC(=O)C(N)C(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)12(15)13(16)18-9-10-5-7-11(17-4)8-6-10/h5-8,12H,9,15H2,1-4H3
InChIKeyUGFWKFSCTKKNDC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.11
Rot. Bonds4

About (4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate

(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate (PubChem CID 61304700) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate
PubChem CID61304700
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate
SMILESCOc1ccc(COC(=O)C(N)C(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)12(15)13(16)18-9-10-5-7-11(17-4)8-6-10/h5-8,12H,9,15H2,1-4H3
InChIKeyUGFWKFSCTKKNDC-UHFFFAOYSA-N
XLogP2.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate
CID 61303513
(4-methoxyphenyl)methyl 2-amino-3-sulfanylpropanoate
CID 61304102
(4-methoxyphenyl)methyl (2S)-2-amino-4-methylpentanoate
CID 61303711
(4-methoxyphenyl)methyl 2-(aminomethyl)-3-methylbutanoate
CID 65217996
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261
bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
bis[(4-methoxyphenyl)methyl] 2-aminopentanedioate;hydrochloride
CID 155891056
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
CID 66172841
(4-methoxyphenyl)methyl 2-amino-4-methylsulfanylbutanoate
CID 61302709

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate?
The IUPAC name of (4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate (CID 61304700) is (4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate is COc1ccc(COC(=O)C(N)C(C)(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate?
The InChIKey is UGFWKFSCTKKNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)12(15)13(16)18-9-10-5-7-11(17-4)8-6-10/h5-8,12H,9,15H2,1-4H3.
What are the key properties of (4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate?
(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate has a molecular weight of 251.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate is sourced from PubChem (CID 61304700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).