2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid

C15H30N2O3 — CID 106806182

IUPAC2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid
SMILESCCC(CCCN(C)CCCOC)(NC1CC1)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-4-15(14(18)19,16-13-7-8-13)9-5-10-17(2)11-6-12-20-3/h13,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyCXOQXTZONWMWDE-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.72
Rot. Bonds12

About 2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid

2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid (PubChem CID 106806182) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid
PubChem CID106806182
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid
SMILESCCC(CCCN(C)CCCOC)(NC1CC1)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-4-15(14(18)19,16-13-7-8-13)9-5-10-17(2)11-6-12-20-3/h13,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyCXOQXTZONWMWDE-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.72
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-(Cyclopropylamino)-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 61915320
2-(Cyclopropylamino)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 61916198
2-(Cyclopropylamino)-2-methyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 61918592
2-(Cyclopropylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanoic acid
CID 61918995
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 61918998
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 61919200
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 61919201
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 61919202
2-(Cyclopropylamino)-2-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]pentanoic acid
CID 65531387
2-Ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 106805881
2-(Cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 106805882
2-Ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 106805904

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid (CID 106806182) is 2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid is CCC(CCCN(C)CCCOC)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid?
The InChIKey is CXOQXTZONWMWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-15(14(18)19,16-13-7-8-13)9-5-10-17(2)11-6-12-20-3/h13,16H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid?
2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.72, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid is sourced from PubChem (CID 106806182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).