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

C11H15N3O4 — CID 43171682

IUPAC2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid
SMILESCN(C)c1cc(C(=O)NC(CO)C(=O)O)ccn1
InChIInChI=1S/C11H15N3O4/c1-14(2)9-5-7(3-4-12-9)10(16)13-8(6-15)11(17)18/h3-5,8,15H,6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyAJNNHLJSZQDEJM-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.68
Rot. Bonds5

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

2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid (PubChem CID 43171682) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid
PubChem CID43171682
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid
SMILESCN(C)c1cc(C(=O)NC(CO)C(=O)O)ccn1
InChIInChI=1S/C11H15N3O4/c1-14(2)9-5-7(3-4-12-9)10(16)13-8(6-15)11(17)18/h3-5,8,15H,6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyAJNNHLJSZQDEJM-UHFFFAOYSA-N
XLogP-0.68
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid
CID 81076482
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
CID 62480013
(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-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799343
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(dimethylamino)pyridine-4-carboxamide
CID 114152484
2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid
CID 65223408
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
2-(dimethylamino)-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115869951
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid (CID 43171682) is 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid is CN(C)c1cc(C(=O)NC(CO)C(=O)O)ccn1.
What is the InChIKey of 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid?
The InChIKey is AJNNHLJSZQDEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-14(2)9-5-7(3-4-12-9)10(16)13-8(6-15)11(17)18/h3-5,8,15H,6H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid?
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 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-hydroxypropanoic acid is sourced from PubChem (CID 43171682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).