2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid

C16H24N2O3 — CID 107338804

IUPAC2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid
SMILESCC(CC(=O)Nc1ccc(CC(=O)O)nc1)CC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-11(9-16(2,3)4)7-14(19)18-13-6-5-12(17-10-13)8-15(20)21/h5-6,10-11H,7-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyGTRHHYUEFDDNFL-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.11
Rot. Bonds6

About 2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid

2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid (PubChem CID 107338804) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid
PubChem CID107338804
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid
SMILESCC(CC(=O)Nc1ccc(CC(=O)O)nc1)CC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-11(9-16(2,3)4)7-14(19)18-13-6-5-12(17-10-13)8-15(20)21/h5-6,10-11H,7-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyGTRHHYUEFDDNFL-UHFFFAOYSA-N
XLogP3.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid
CID 107341135
2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid
CID 107341132
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238
2-[5-(3,3-dimethylbutylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340868
2-[4-(3,5,5-trimethylhexanoylamino)pyrazol-1-yl]acetic acid
CID 61018088
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide
CID 43540485
2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338937

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid (CID 107338804) is 2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid is CC(CC(=O)Nc1ccc(CC(=O)O)nc1)CC(C)(C)C.
What is the InChIKey of 2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid?
The InChIKey is GTRHHYUEFDDNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(9-16(2,3)4)7-14(19)18-13-6-5-12(17-10-13)8-15(20)21/h5-6,10-11H,7-9H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid?
2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107338804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).