methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate

C14H21NO3 — CID 60786327

IUPACmethyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(C)(NC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-10(2)15-14(3,13(16)18-5)11-6-8-12(17-4)9-7-11/h6-10,15H,1-5H3
InChIKeyQPRVJZFNGGXNRF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds5

About methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate

methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate (PubChem CID 60786327) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate
PubChem CID60786327
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(C)(NC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-10(2)15-14(3,13(16)18-5)11-6-8-12(17-4)9-7-11/h6-10,15H,1-5H3
InChIKeyQPRVJZFNGGXNRF-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3,4-difluorophenyl)-2-(propan-2-ylamino)propanoate
CID 54919578
2-(6-methoxynaphthalen-2-yl)-2-(propan-2-ylamino)propanamide
CID 60788360
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459
methyl 2-(cyclohexylamino)-2-(4-methoxyphenyl)propanoate
CID 60998069
ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
CID 60786846
methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate
CID 60787718
ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60788346
2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754261
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate
CID 62395794
methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate
CID 102113865
ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate
CID 60788348
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate (CID 60786327) is methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate is COC(=O)C(C)(NC(C)C)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate?
The InChIKey is QPRVJZFNGGXNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)15-14(3,13(16)18-5)11-6-8-12(17-4)9-7-11/h6-10,15H,1-5H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate?
methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 60786327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).