5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid

C15H31NO3 — CID 114208529

IUPAC5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCOCC(CC)CC)C(=O)O
InChIInChI=1S/C15H31NO3/c1-5-10-16-15(4,14(17)18)9-8-11-19-12-13(6-2)7-3/h13,16H,5-12H2,1-4H3,(H,17,18)
InChIKeyPZQWIIURFXEMBJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.06
Rot. Bonds12

About 5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid

5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 114208529) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid
PubChem CID114208529
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCOCC(CC)CC)C(=O)O
InChIInChI=1S/C15H31NO3/c1-5-10-16-15(4,14(17)18)9-8-11-19-12-13(6-2)7-3/h13,16H,5-12H2,1-4H3,(H,17,18)
InChIKeyPZQWIIURFXEMBJ-UHFFFAOYSA-N
XLogP3.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(propylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783635
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666735
4-(2-ethylbutoxy)-2-methyl-2-(propylamino)butanenitrile
CID 114208522
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
methyl 2-methyl-2-(propylamino)-5-(3,3,3-trifluoropropoxy)pentanoate
CID 82957801
2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid
CID 106448940
5-[2-ethoxyethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63690528
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid
CID 102722825
2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
CID 103179851
5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63466519
ethyl 2-amino-5-(2-ethylbutoxy)-2-methylpentanoate
CID 114208531
2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid
CID 106806801

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid (CID 114208529) is 5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CCCOCC(CC)CC)C(=O)O.
What is the InChIKey of 5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is PZQWIIURFXEMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-5-10-16-15(4,14(17)18)9-8-11-19-12-13(6-2)7-3/h13,16H,5-12H2,1-4H3,(H,17,18).
What are the key properties of 5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid?
5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 273.42 g/mol, XLogP of 3.06, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 114208529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).