2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid

C15H29NO3 — CID 65261401

IUPAC2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid
SMILESCC(CC(=O)NC(C)(C)C(C)(C)C(=O)O)C(C)(C)C
InChIInChI=1S/C15H29NO3/c1-10(13(2,3)4)9-11(17)16-15(7,8)14(5,6)12(18)19/h10H,9H2,1-8H3,(H,16,17)(H,18,19)
InChIKeyWVDDZIDBFCMYKO-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.06
Rot. Bonds5

About 2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid

2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid (PubChem CID 65261401) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid
PubChem CID65261401
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid
SMILESCC(CC(=O)NC(C)(C)C(C)(C)C(=O)O)C(C)(C)C
InChIInChI=1S/C15H29NO3/c1-10(13(2,3)4)9-11(17)16-15(7,8)14(5,6)12(18)19/h10H,9H2,1-8H3,(H,16,17)(H,18,19)
InChIKeyWVDDZIDBFCMYKO-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid (CID 65261401) is 2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid is CC(CC(=O)NC(C)(C)C(C)(C)C(=O)O)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid?
The InChIKey is WVDDZIDBFCMYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-10(13(2,3)4)9-11(17)16-15(7,8)14(5,6)12(18)19/h10H,9H2,1-8H3,(H,16,17)(H,18,19).
What are the key properties of 2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid?
2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid has a molecular weight of 271.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(3,4,4-trimethylpentanoylamino)butanoic acid is sourced from PubChem (CID 65261401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).