2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid

C15H32N2O3 — CID 81074022

IUPAC2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(C)(CC(C)N(C)CCOC(C)C)C(=O)O
InChIInChI=1S/C15H32N2O3/c1-11(2)16-15(6,14(18)19)10-13(5)17(7)8-9-20-12(3)4/h11-13,16H,8-10H2,1-7H3,(H,18,19)
InChIKeyGDUREOBXWYIEQW-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.96
Rot. Bonds10

About 2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid

2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid (PubChem CID 81074022) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid
PubChem CID81074022
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(C)(CC(C)N(C)CCOC(C)C)C(=O)O
InChIInChI=1S/C15H32N2O3/c1-11(2)16-15(6,14(18)19)10-13(5)17(7)8-9-20-12(3)4/h11-13,16H,8-10H2,1-7H3,(H,18,19)
InChIKeyGDUREOBXWYIEQW-UHFFFAOYSA-N
XLogP1.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 79858080
4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 81061737
ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 81044614
4-butoxy-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64706677
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64709693
ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710729
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64711759
methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 81062894
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81057064

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid (CID 81074022) is 2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid is CC(C)NC(C)(CC(C)N(C)CCOC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is GDUREOBXWYIEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-11(2)16-15(6,14(18)19)10-13(5)17(7)8-9-20-12(3)4/h11-13,16H,8-10H2,1-7H3,(H,18,19).
What are the key properties of 2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid?
2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 288.43 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 81074022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).