5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid

C14H26N2O4 — CID 82010370

IUPAC5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-10(5-6-12(18)19)9-16-11(17)7-8-15-13(20)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyPBIXEYWDGASXQJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.16
Rot. Bonds8

About 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid

5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid (PubChem CID 82010370) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid
PubChem CID82010370
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-10(5-6-12(18)19)9-16-11(17)7-8-15-13(20)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyPBIXEYWDGASXQJ-UHFFFAOYSA-N
XLogP1.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid (CID 82010370) is 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid?
The InChIKey is PBIXEYWDGASXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(5-6-12(18)19)9-16-11(17)7-8-15-13(20)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid?
5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82010370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).