2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid

C16H32N2O3 — CID 106806277

IUPAC2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
SMILESCCNC(CC)(CCCN(C)CC1CCOCC1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-16(15(19)20,17-5-2)9-6-10-18(3)13-14-7-11-21-12-8-14/h14,17H,4-13H2,1-3H3,(H,19,20)
InChIKeyMZJBUSHJMUKJKC-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.97
Rot. Bonds10

About 2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid

2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid (PubChem CID 106806277) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
PubChem CID106806277
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
SMILESCCNC(CC)(CCCN(C)CC1CCOCC1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-16(15(19)20,17-5-2)9-6-10-18(3)13-14-7-11-21-12-8-14/h14,17H,4-13H2,1-3H3,(H,19,20)
InChIKeyMZJBUSHJMUKJKC-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
CID 63711791
2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 63711272
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806249
2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid
CID 106805855
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
CID 63712858
2-ethyl-2-(oxan-4-ylmethylamino)butanoic acid
CID 78948214
5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806056
2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
CID 106805952
5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805880
5-[cyclopentylmethyl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254595
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid
CID 106806747
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805830

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid (CID 106806277) is 2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid is CCNC(CC)(CCCN(C)CC1CCOCC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid?
The InChIKey is MZJBUSHJMUKJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-16(15(19)20,17-5-2)9-6-10-18(3)13-14-7-11-21-12-8-14/h14,17H,4-13H2,1-3H3,(H,19,20).
What are the key properties of 2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid?
2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid has a molecular weight of 300.44 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 106806277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).