methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate

C14H21NO3 — CID 82349375

IUPACmethyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate
SMILESCCCc1ccc(C(O)C(N)CC(=O)OC)cc1
InChIInChI=1S/C14H21NO3/c1-3-4-10-5-7-11(8-6-10)14(17)12(15)9-13(16)18-2/h5-8,12,14,17H,3-4,9,15H2,1-2H3
InChIKeyPMOKXQUDCWLOTL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.56
Rot. Bonds6

About methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate

methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate (PubChem CID 82349375) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate
PubChem CID82349375
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate
SMILESCCCc1ccc(C(O)C(N)CC(=O)OC)cc1
InChIInChI=1S/C14H21NO3/c1-3-4-10-5-7-11(8-6-10)14(17)12(15)9-13(16)18-2/h5-8,12,14,17H,3-4,9,15H2,1-2H3
InChIKeyPMOKXQUDCWLOTL-UHFFFAOYSA-N
XLogP1.56
TPSA72.55 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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-4-hydroxy-4-(4-methoxyphenyl)butanoate
CID 82348360
methyl 3-amino-4-(4-chlorophenyl)-4-hydroxybutanoate
CID 82347914
methyl 4-(4-acetamidophenyl)-3-amino-4-hydroxybutanoate
CID 82348721
methyl 3-amino-4-(3,4-dimethoxyphenyl)-4-hydroxybutanoate
CID 82348525
methyl 2-[2-amino-2-(4-propylphenyl)ethyl]sulfanylacetate
CID 64615648
methyl 2-(4-propylphenyl)propanoate
CID 62801402
methyl 2-hydroxy-3-(4-propylphenyl)butanoate
CID 66287752
methyl 2-bromo-2-(4-propylphenyl)acetate
CID 87953523
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate
CID 82349363
methyl 2-amino-4-(4-propylphenyl)butanoate
CID 116851455
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate?
The IUPAC name of methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate (CID 82349375) is methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate.
What is the SMILES notation for methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate?
The canonical SMILES for methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate is CCCc1ccc(C(O)C(N)CC(=O)OC)cc1.
What is the InChIKey of methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate?
The InChIKey is PMOKXQUDCWLOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-4-10-5-7-11(8-6-10)14(17)12(15)9-13(16)18-2/h5-8,12,14,17H,3-4,9,15H2,1-2H3.
What are the key properties of methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate?
methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate has a molecular weight of 251.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate is sourced from PubChem (CID 82349375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).