3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid

C24H45N3O5 — CID 20675824

IUPAC3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid
SMILESCC(C)CC(C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(=O)O)C(C)C)N(C)C(=O)C(C)C
InChIInChI=1S/C24H45N3O5/c1-14(2)12-18(25(9)21(28)17(7)8)22(29)26(10)19(13-15(3)4)23(30)27(11)20(16(5)6)24(31)32/h14-20H,12-13H2,1-11H3,(H,31,32)
InChIKeyBGINLMPNPZEDTP-UHFFFAOYSA-N
MW455.64 g/mol
LogP2.96
Rot. Bonds12

About 3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid

3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid (PubChem CID 20675824) has the molecular formula C24H45N3O5 and a molecular weight of 455.64 g/mol. Its IUPAC name is 3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid
PubChem CID20675824
Molecular FormulaC24H45N3O5
Molecular Weight455.64 g/mol
Exact Mass455.34
IUPAC Name3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid
SMILESCC(C)CC(C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(=O)O)C(C)C)N(C)C(=O)C(C)C
InChIInChI=1S/C24H45N3O5/c1-14(2)12-18(25(9)21(28)17(7)8)22(29)26(10)19(13-15(3)4)23(30)27(11)20(16(5)6)24(31)32/h14-20H,12-13H2,1-11H3,(H,31,32)
InChIKeyBGINLMPNPZEDTP-UHFFFAOYSA-N
XLogP2.96
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.64
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid (CID 20675824) is 3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid is CC(C)CC(C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(=O)O)C(C)C)N(C)C(=O)C(C)C.
What is the InChIKey of 3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid?
The InChIKey is BGINLMPNPZEDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3O5/c1-14(2)12-18(25(9)21(28)17(7)8)22(29)26(10)19(13-15(3)4)23(30)27(11)20(16(5)6)24(31)32/h14-20H,12-13H2,1-11H3,(H,31,32).
What are the key properties of 3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid?
3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid has a molecular weight of 455.64 g/mol, XLogP of 2.96, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanoyl]amino]pentanoyl]amino]butanoic acid is sourced from PubChem (CID 20675824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).