2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid

C15H32N2O2 — CID 63964909

IUPAC2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(C)(C)N(C)CCCC(C)(NC(C)C)C(=O)O
InChIInChI=1S/C15H32N2O2/c1-8-14(4,5)17(7)11-9-10-15(6,13(18)19)16-12(2)3/h12,16H,8-11H2,1-7H3,(H,18,19)
InChIKeyCJAQZXQLWMPIGJ-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.73
Rot. Bonds9

About 2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid

2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid (PubChem CID 63964909) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid
PubChem CID63964909
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(C)(C)N(C)CCCC(C)(NC(C)C)C(=O)O
InChIInChI=1S/C15H32N2O2/c1-8-14(4,5)17(7)11-9-10-15(6,13(18)19)16-12(2)3/h12,16H,8-11H2,1-7H3,(H,18,19)
InChIKeyCJAQZXQLWMPIGJ-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 63698579
2-(ethylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanamide
CID 63967557
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 102996597
2-amino-2-methyl-4-[methyl(2-methylbutan-2-yl)amino]butanoic acid
CID 63967132
methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate
CID 63965064
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783636
methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 79481544
5-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 66138640
2-methyl-5-(2-methylsulfonylethylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 55246988
5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63466519

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid (CID 63964909) is 2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid is CCC(C)(C)N(C)CCCC(C)(NC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is CJAQZXQLWMPIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-8-14(4,5)17(7)11-9-10-15(6,13(18)19)16-12(2)3/h12,16H,8-11H2,1-7H3,(H,18,19).
What are the key properties of 2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid?
2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 272.43 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 63964909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).