4-methyl-3-(pyridin-2-ylamino)pentanoic acid

C11H16N2O2 — CID 123752264

IUPAC4-methyl-3-(pyridin-2-ylamino)pentanoic acid
SMILESCC(C)C(CC(=O)O)Nc1ccccn1
InChIInChI=1S/C11H16N2O2/c1-8(2)9(7-11(14)15)13-10-5-3-4-6-12-10/h3-6,8-9H,7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNUDUXGIFFRPJNU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.99
Rot. Bonds5

About 4-methyl-3-(pyridin-2-ylamino)pentanoic acid

4-methyl-3-(pyridin-2-ylamino)pentanoic acid (PubChem CID 123752264) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-methyl-3-(pyridin-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-(pyridin-2-ylamino)pentanoic acid
PubChem CID123752264
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-methyl-3-(pyridin-2-ylamino)pentanoic acid
SMILESCC(C)C(CC(=O)O)Nc1ccccn1
InChIInChI=1S/C11H16N2O2/c1-8(2)9(7-11(14)15)13-10-5-3-4-6-12-10/h3-6,8-9H,7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNUDUXGIFFRPJNU-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pyridin-2-ylamino)pentanoic acid?
The IUPAC name of 4-methyl-3-(pyridin-2-ylamino)pentanoic acid (CID 123752264) is 4-methyl-3-(pyridin-2-ylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-3-(pyridin-2-ylamino)pentanoic acid?
The canonical SMILES for 4-methyl-3-(pyridin-2-ylamino)pentanoic acid is CC(C)C(CC(=O)O)Nc1ccccn1.
What is the InChIKey of 4-methyl-3-(pyridin-2-ylamino)pentanoic acid?
The InChIKey is NUDUXGIFFRPJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)9(7-11(14)15)13-10-5-3-4-6-12-10/h3-6,8-9H,7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-3-(pyridin-2-ylamino)pentanoic acid?
4-methyl-3-(pyridin-2-ylamino)pentanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(pyridin-2-ylamino)pentanoic acid is sourced from PubChem (CID 123752264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).