2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid

C12H17N3O4 — CID 81076482

IUPAC2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)c1ccnc(N(C)C)c1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-15(2)10-6-8(4-5-13-10)11(16)14-9(7-19-3)12(17)18/h4-6,9H,7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeySHPYARSYKLRWIV-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.02
Rot. Bonds6

About 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid

2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid (PubChem CID 81076482) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid
PubChem CID81076482
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)c1ccnc(N(C)C)c1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-15(2)10-6-8(4-5-13-10)11(16)14-9(7-19-3)12(17)18/h4-6,9H,7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeySHPYARSYKLRWIV-UHFFFAOYSA-N
XLogP-0.02
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
CID 62480013
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
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799343
2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 114036636
(2S,3R)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 93306101
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 114006582
2-[(4-bromobenzoyl)amino]-3-methoxypropanoic acid
CID 81076799
2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid
CID 65223408
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid (CID 81076482) is 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid is COCC(NC(=O)c1ccnc(N(C)C)c1)C(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid?
The InChIKey is SHPYARSYKLRWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15(2)10-6-8(4-5-13-10)11(16)14-9(7-19-3)12(17)18/h4-6,9H,7H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid?
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid has a molecular weight of 267.29 g/mol, XLogP of -0.02, 6 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]-3-methoxypropanoic acid is sourced from PubChem (CID 81076482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).