5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid

C14H20N2O3 — CID 112517228

IUPAC5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid
SMILESCC(C)(C)NC(=O)C(CCC(=O)O)c1ccccn1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)16-13(19)10(7-8-12(17)18)11-6-4-5-9-15-11/h4-6,9-10H,7-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyWFTDGRYKCDHRLH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.94
Rot. Bonds5

About 5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid

5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid (PubChem CID 112517228) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid.

Molecular Properties

Compound Name5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid
PubChem CID112517228
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid
SMILESCC(C)(C)NC(=O)C(CCC(=O)O)c1ccccn1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)16-13(19)10(7-8-12(17)18)11-6-4-5-9-15-11/h4-6,9-10H,7-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyWFTDGRYKCDHRLH-UHFFFAOYSA-N
XLogP1.94
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-4-pyridin-2-yl-5-sulfanylpentanoic acid;hydrochloride
CID 142115465
N-tert-butyl-2-phenyl-2-pyridin-2-ylacetamide
CID 110373379
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
CID 97253743
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
4-amino-4-pyridin-2-ylbutanoic acid
CID 55292382
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
2-pyridin-2-ylbutanedioic acid
CID 67462885
4-hydroxy-2-pyridin-2-ylpentanoic acid
CID 24976010
3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid
CID 116953575
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid?
The IUPAC name of 5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid (CID 112517228) is 5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid.
What is the SMILES notation for 5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid?
The canonical SMILES for 5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid is CC(C)(C)NC(=O)C(CCC(=O)O)c1ccccn1.
What is the InChIKey of 5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid?
The InChIKey is WFTDGRYKCDHRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)16-13(19)10(7-8-12(17)18)11-6-4-5-9-15-11/h4-6,9-10H,7-8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid?
5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid is sourced from PubChem (CID 112517228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).