ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate

C17H27NO3 — CID 62549258

IUPACethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate
SMILESCCCc1ccc(OCCCC(C)(N)C(=O)OCC)cc1
InChIInChI=1S/C17H27NO3/c1-4-7-14-8-10-15(11-9-14)21-13-6-12-17(3,18)16(19)20-5-2/h8-11H,4-7,12-13,18H2,1-3H3
InChIKeyUJTYPSZNTLRTID-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.08
Rot. Bonds9

About ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate

ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate (PubChem CID 62549258) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate
PubChem CID62549258
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate
SMILESCCCc1ccc(OCCCC(C)(N)C(=O)OCC)cc1
InChIInChI=1S/C17H27NO3/c1-4-7-14-8-10-15(11-9-14)21-13-6-12-17(3,18)16(19)20-5-2/h8-11H,4-7,12-13,18H2,1-3H3
InChIKeyUJTYPSZNTLRTID-UHFFFAOYSA-N
XLogP3.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(4-butylphenoxy)-2-methylhexanamide
CID 115493137
methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate
CID 107709921
2-ethoxycarbonyl-4-(4-heptoxyphenyl)-2-methylbutanoic acid
CID 10690152
2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
CID 65255864
diethyl 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioate
CID 10812754
2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 55085639
diethyl 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioate;2-ethoxycarbonyl-2-[2-(4-heptoxyphenyl)ethyl]hexanoic acid
CID 70146121
ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate
CID 66453939
2,2-dimethyl-5-(4-propylphenoxy)pentanenitrile
CID 65257814
ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate
CID 62337690
(4R)-4-amino-6-(4-heptoxyphenyl)-4-methylhexanoic acid
CID 11772019
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate?
The IUPAC name of ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate (CID 62549258) is ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate.
What is the SMILES notation for ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate?
The canonical SMILES for ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate is CCCc1ccc(OCCCC(C)(N)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate?
The InChIKey is UJTYPSZNTLRTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-7-14-8-10-15(11-9-14)21-13-6-12-17(3,18)16(19)20-5-2/h8-11H,4-7,12-13,18H2,1-3H3.
What are the key properties of ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate?
ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate has a molecular weight of 293.41 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate is sourced from PubChem (CID 62549258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).