methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate

C16H23NO4 — CID 175334706

IUPACmethyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)C(C)(C)C
InChIInChI=1S/C16H23NO4/c1-16(2,3)15(19)17-13(14(18)21-5)10-11-6-8-12(20-4)9-7-11/h6-9,13H,10H2,1-5H3,(H,17,19)/t13-/m1/s1
InChIKeyAECKVQAUIHRMAB-CYBMUJFWSA-N
MW293.36 g/mol
LogP1.94
Rot. Bonds5

About methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate

methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate (PubChem CID 175334706) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate
PubChem CID175334706
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)C(C)(C)C
InChIInChI=1S/C16H23NO4/c1-16(2,3)15(19)17-13(14(18)21-5)10-11-6-8-12(20-4)9-7-11/h6-9,13H,10H2,1-5H3,(H,17,19)/t13-/m1/s1
InChIKeyAECKVQAUIHRMAB-CYBMUJFWSA-N
XLogP1.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoic acid
CID 70050979
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate
CID 10955237
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
CID 10889521
ethyl 2-(2,2-dimethylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 3372562
methyl (2S)-3-(4-methoxyphenyl)-2-[[3-methyl-3-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
CID 10026366
2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71154738
tert-butyl N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 140888192
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 523519
methyl (2R)-3-(4-iodophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 162568507
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(2-methylpropoxy)phenyl]propanoate
CID 174441374
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate (CID 175334706) is methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate is COC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)C(C)(C)C.
What is the InChIKey of methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate?
The InChIKey is AECKVQAUIHRMAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)15(19)17-13(14(18)21-5)10-11-6-8-12(20-4)9-7-11/h6-9,13H,10H2,1-5H3,(H,17,19)/t13-/m1/s1.
What are the key properties of methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate?
methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate has a molecular weight of 293.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 175334706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).