methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate

C14H21NO3 — CID 60797022

IUPACmethyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate
SMILESCCCNC(CC)(C(=O)OC)c1ccc(O)cc1
InChIInChI=1S/C14H21NO3/c1-4-10-15-14(5-2,13(17)18-3)11-6-8-12(16)9-7-11/h6-9,15-16H,4-5,10H2,1-3H3
InChIKeyCHSHWYWCIZHTRY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.17
Rot. Bonds6

About methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate

methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate (PubChem CID 60797022) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate
PubChem CID60797022
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate
SMILESCCCNC(CC)(C(=O)OC)c1ccc(O)cc1
InChIInChI=1S/C14H21NO3/c1-4-10-15-14(5-2,13(17)18-3)11-6-8-12(16)9-7-11/h6-9,15-16H,4-5,10H2,1-3H3
InChIKeyCHSHWYWCIZHTRY-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate
CID 54918211
methyl 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)butanoate
CID 66190623
methyl 2-(4-methoxyphenyl)-2-(prop-2-ynylamino)butanoate
CID 62365811
methyl 2-(4-bromophenyl)-2-(prop-2-ynylamino)butanoate
CID 62365459
methyl 2-(4-bromophenyl)-2-(methylamino)butanoate
CID 60787393
2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)butanamide
CID 60997030
methyl 2-(4-bromophenyl)-2-(cyclopropylmethylamino)butanoate
CID 54894117
methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate
CID 54894019
ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate
CID 60787029
methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
CID 60999109
methyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate
CID 572033
1-O-butyl 3-O-methyl 2-amino-2-(4-hydroxyphenyl)propanedioate
CID 68730894

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate?
The IUPAC name of methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate (CID 60797022) is methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate.
What is the SMILES notation for methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate?
The canonical SMILES for methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate is CCCNC(CC)(C(=O)OC)c1ccc(O)cc1.
What is the InChIKey of methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate?
The InChIKey is CHSHWYWCIZHTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-10-15-14(5-2,13(17)18-3)11-6-8-12(16)9-7-11/h6-9,15-16H,4-5,10H2,1-3H3.
What are the key properties of methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate?
methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate has a molecular weight of 251.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate is sourced from PubChem (CID 60797022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).