5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid

C14H29NO4 — CID 106806827

IUPAC5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCOCCOCCCC(CC)(NC(C)C)C(=O)O
InChIInChI=1S/C14H29NO4/c1-5-14(13(16)17,15-12(3)4)8-7-9-19-11-10-18-6-2/h12,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyKTLDHCQUMNMJHC-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.05
Rot. Bonds12

About 5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid

5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 106806827) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID106806827
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCOCCOCCCC(CC)(NC(C)C)C(=O)O
InChIInChI=1S/C14H29NO4/c1-5-14(13(16)17,15-12(3)4)8-7-9-19-11-10-18-6-2/h12,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyKTLDHCQUMNMJHC-UHFFFAOYSA-N
XLogP2.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807136
5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
CID 106806917
2-ethyl-5-(3-methoxypropylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 106807566
2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid
CID 106807068
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
CID 106807199
5-tert-butylsulfanyl-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807286
2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 106807155
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
CID 106807139
5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806249
2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106806903
5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806317

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid (CID 106806827) is 5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid is CCOCCOCCCC(CC)(NC(C)C)C(=O)O.
What is the InChIKey of 5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is KTLDHCQUMNMJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-5-14(13(16)17,15-12(3)4)8-7-9-19-11-10-18-6-2/h12,15H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 275.39 g/mol, XLogP of 2.05, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 106806827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).