3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid

C13H18N2O4 — CID 119362663

IUPAC3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C)Oc1cccnc1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C13H18N2O4/c1-9(2)19-10-5-4-7-14-12(10)13(18)15(3)8-6-11(16)17/h4-5,7,9H,6,8H2,1-3H3,(H,16,17)
InChIKeyNCQGLRCRSIUFKP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.42
Rot. Bonds6

About 3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid

3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid (PubChem CID 119362663) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
PubChem CID119362663
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C)Oc1cccnc1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C13H18N2O4/c1-9(2)19-10-5-4-7-14-12(10)13(18)15(3)8-6-11(16)17/h4-5,7,9H,6,8H2,1-3H3,(H,16,17)
InChIKeyNCQGLRCRSIUFKP-UHFFFAOYSA-N
XLogP1.42
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-3-propan-2-yloxypyridine-2-carboxamide
CID 119659840
N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 119384241
2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120700865
3-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]propanoic acid
CID 119911747
2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120525138
N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide
CID 119548878
(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid
CID 120615460
N-[3-(dimethylamino)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55228119
3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106915192
3-[2-(2-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989857
3-[2-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989868
3-[(3-bromopyridine-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 107517011

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid (CID 119362663) is 3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid is CC(C)Oc1cccnc1C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is NCQGLRCRSIUFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)19-10-5-4-7-14-12(10)13(18)15(3)8-6-11(16)17/h4-5,7,9H,6,8H2,1-3H3,(H,16,17).
What are the key properties of 3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119362663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).