5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid

C10H21NO3 — CID 106806917

IUPAC5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCOCCCC(CC)(NC)C(=O)O
InChIInChI=1S/C10H21NO3/c1-4-10(11-3,9(12)13)7-6-8-14-5-2/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyJDKORQXPUKJFQB-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.26
Rot. Bonds8

About 5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid

5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid (PubChem CID 106806917) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
PubChem CID106806917
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCOCCCC(CC)(NC)C(=O)O
InChIInChI=1S/C10H21NO3/c1-4-10(11-3,9(12)13)7-6-8-14-5-2/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyJDKORQXPUKJFQB-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.26
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-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
CID 106807199
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
CID 106807139
2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 106807155
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806827
2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid
CID 106806801
2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid
CID 106806865
2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
CID 106806746
2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106806903
5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807136
5-ethoxy-N,2-dimethylpentan-2-amine
CID 135220051
2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid
CID 106806550
2-ethyl-5-(1-hydroxypropan-2-ylsulfanyl)-2-(methylamino)pentanoic acid
CID 106807651

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid?
The IUPAC name of 5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid (CID 106806917) is 5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid is CCOCCCC(CC)(NC)C(=O)O.
What is the InChIKey of 5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid?
The InChIKey is JDKORQXPUKJFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-10(11-3,9(12)13)7-6-8-14-5-2/h11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid?
5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106806917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).