(2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid

C20H24N2O4 — CID 162653277

IUPAC(2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid
SMILESCC(C)(C)CC[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)O
InChIInChI=1S/C20H24N2O4/c1-20(2,3)12-11-16(19(24)25)22-18(23)14-9-10-17(21-13-14)26-15-7-5-4-6-8-15/h4-10,13,16H,11-12H2,1-3H3,(H,22,23)(H,24,25)/t16-/m0/s1
InChIKeyOWESOSHRVQOBOS-INIZCTEOSA-N
MW356.42 g/mol
LogP3.88
Rot. Bonds7

About (2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid

(2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 162653277) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid
PubChem CID162653277
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid
SMILESCC(C)(C)CC[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)O
InChIInChI=1S/C20H24N2O4/c1-20(2,3)12-11-16(19(24)25)22-18(23)14-9-10-17(21-13-14)26-15-7-5-4-6-8-15/h4-10,13,16H,11-12H2,1-3H3,(H,22,23)(H,24,25)/t16-/m0/s1
InChIKeyOWESOSHRVQOBOS-INIZCTEOSA-N
XLogP3.88
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid with MolForge

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Related Compounds

6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-((Benzylamino)methyl)phenoxy)nicotinamide
CID 44434949
VU0404251
CID 58368068
4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine
CID 153835401
9P7ZX5Bwv8
CID 9904911
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771416
2-[[4-Hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73050968
2-({[2-(4-Methylphenoxy)pyridin-3-yl]carbonyl}amino)acetic acid
CID 2801072
N-[3-(2-p-Tolyloxy-acetylamino)-propyl]-nicotinamide
CID 2988570
N-{2-[2-(4-Methoxy-phenoxy)-acetylamino]-ethyl}-nicotinamide
CID 2991541
3-[(4-Ethoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 3240810

Frequently Asked Questions

What is the IUPAC name of (2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid (CID 162653277) is (2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid is CC(C)(C)CC[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)O.
What is the InChIKey of (2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid?
The InChIKey is OWESOSHRVQOBOS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)12-11-16(19(24)25)22-18(23)14-9-10-17(21-13-14)26-15-7-5-4-6-8-15/h4-10,13,16H,11-12H2,1-3H3,(H,22,23)(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid?
(2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid has a molecular weight of 356.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,5-dimethyl-2-[(6-phenoxypyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 162653277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).