2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid

C20H32N2O3 — CID 102131268

IUPAC2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid
SMILESCCCCCCCCCCCCc1ccc(C(=O)NCC(=O)O)cn1
InChIInChI=1S/C20H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-13-17(15-21-18)20(25)22-16-19(23)24/h13-15H,2-12,16H2,1H3,(H,22,25)(H,23,24)
InChIKeyAFBBTABRMXNJMU-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.36
Rot. Bonds14

About 2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid

2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid (PubChem CID 102131268) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid
PubChem CID102131268
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid
SMILESCCCCCCCCCCCCc1ccc(C(=O)NCC(=O)O)cn1
InChIInChI=1S/C20H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-13-17(15-21-18)20(25)22-16-19(23)24/h13-15H,2-12,16H2,1H3,(H,22,25)(H,23,24)
InChIKeyAFBBTABRMXNJMU-UHFFFAOYSA-N
XLogP4.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
bis(2-benzamidoacetic acid);heptanoic acid;hexanoic acid
CID 174051759
2-[[3-methoxy-5-(undecylcarbamoyl)pyridine-2-carbonyl]amino]acetic acid
CID 151435518
6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine
CID 90299637
4-(5-octylpyrazin-2-yl)benzoic acid
CID 57270036
nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614948
ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614932
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
6-(6-cyanohexyl)-N,N-diethylpyridine-3-carboxamide
CID 10334268

Frequently Asked Questions

What is the IUPAC name of 2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid (CID 102131268) is 2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid is CCCCCCCCCCCCc1ccc(C(=O)NCC(=O)O)cn1.
What is the InChIKey of 2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid?
The InChIKey is AFBBTABRMXNJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-13-17(15-21-18)20(25)22-16-19(23)24/h13-15H,2-12,16H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid?
2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid has a molecular weight of 348.49 g/mol, XLogP of 4.36, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 102131268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).