2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid

C14H29NO4 — CID 64720042

IUPAC2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)OCCOCCC)C(=O)O
InChIInChI=1S/C14H29NO4/c1-5-7-15-14(4,13(16)17)11-12(3)19-10-9-18-8-6-2/h12,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyJMHQHDRHFPFSEI-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.05
Rot. Bonds12

About 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid

2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid (PubChem CID 64720042) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
PubChem CID64720042
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)OCCOCCC)C(=O)O
InChIInChI=1S/C14H29NO4/c1-5-7-15-14(4,13(16)17)11-12(3)19-10-9-18-8-6-2/h12,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyJMHQHDRHFPFSEI-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

2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid
CID 64720044
2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82959471
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 106204642
methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate
CID 64705937
4-butoxy-2-(ethylamino)-2-methylpentanoic acid
CID 64706482
2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
CID 64708806
2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 112589153
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile
CID 64728036
methyl 2-amino-2-methyl-4-(2-propoxyethoxy)pentanoate
CID 64720266
4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706231
2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoic acid
CID 112589185
2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid
CID 102984225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid?
The IUPAC name of 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid (CID 64720042) is 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid?
The canonical SMILES for 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)OCCOCCC)C(=O)O.
What is the InChIKey of 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid?
The InChIKey is JMHQHDRHFPFSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-5-7-15-14(4,13(16)17)11-12(3)19-10-9-18-8-6-2/h12,15H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid?
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)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 2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64720042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).