3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid

C15H29NO3 — CID 63832684

IUPAC3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid
SMILESCC(CC(=O)N(CCC(=O)O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO3/c1-11(14(2,3)4)10-12(17)16(15(5,6)7)9-8-13(18)19/h11H,8-10H2,1-7H3,(H,18,19)
InChIKeyHZZRZOGFBZNPEY-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.16
Rot. Bonds5

About 3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid

3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid (PubChem CID 63832684) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid
PubChem CID63832684
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid
SMILESCC(CC(=O)N(CCC(=O)O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO3/c1-11(14(2,3)4)10-12(17)16(15(5,6)7)9-8-13(18)19/h11H,8-10H2,1-7H3,(H,18,19)
InChIKeyHZZRZOGFBZNPEY-UHFFFAOYSA-N
XLogP3.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid (CID 63832684) is 3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid is CC(CC(=O)N(CCC(=O)O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid?
The InChIKey is HZZRZOGFBZNPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-11(14(2,3)4)10-12(17)16(15(5,6)7)9-8-13(18)19/h11H,8-10H2,1-7H3,(H,18,19).
What are the key properties of 3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid?
3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid has a molecular weight of 271.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid is sourced from PubChem (CID 63832684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).