3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid

C14H20N2O3 — CID 122107646

IUPAC3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H20N2O3/c1-9(7-12(17)18)16-13(19)11-6-5-10(8-15-11)14(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyCNWHEEVFIWWEGP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.97
Rot. Bonds4

About 3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid

3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid (PubChem CID 122107646) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid
PubChem CID122107646
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H20N2O3/c1-9(7-12(17)18)16-13(19)11-6-5-10(8-15-11)14(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyCNWHEEVFIWWEGP-UHFFFAOYSA-N
XLogP1.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid
CID 122107922
3-[(4-tert-butylbenzoyl)amino]butanoic acid
CID 18370033
5-tert-butyl-N-hydroxypyridine-2-carboxamide
CID 155087996
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909242
5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 176964984
2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 122107400
2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 122108015
3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
CID 110835099
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427288
3-(4-tert-butylphenyl)-3-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120520484
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid (CID 122107646) is 3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1ccc(C(C)(C)C)cn1.
What is the InChIKey of 3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid?
The InChIKey is CNWHEEVFIWWEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(7-12(17)18)16-13(19)11-6-5-10(8-15-11)14(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid?
3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 122107646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).