2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid

C13H19N3O4 — CID 62480013

IUPAC2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccnc(N(C)C)c1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-16(2)11-8-9(4-6-14-11)12(17)15-10(13(18)19)5-7-20-3/h4,6,8,10H,5,7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyVACSOHWODIOSPX-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.37
Rot. Bonds7

About 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid

2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid (PubChem CID 62480013) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
PubChem CID62480013
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccnc(N(C)C)c1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-16(2)11-8-9(4-6-14-11)12(17)15-10(13(18)19)5-7-20-3/h4,6,8,10H,5,7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyVACSOHWODIOSPX-UHFFFAOYSA-N
XLogP0.37
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid
CID 81076482
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 43171682
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid
CID 61155509
2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 114036636
2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799343
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
(2S,3R)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 93306101
(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 114006582
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid (CID 62480013) is 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1ccnc(N(C)C)c1)C(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid?
The InChIKey is VACSOHWODIOSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-16(2)11-8-9(4-6-14-11)12(17)15-10(13(18)19)5-7-20-3/h4,6,8,10H,5,7H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid?
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62480013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).