2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid

C12H17N3O4 — CID 43353682

IUPAC2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)c1ccc(N(C)C)nc1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-7(16)10(12(18)19)14-11(17)8-4-5-9(13-6-8)15(2)3/h4-7,10,16H,1-3H3,(H,14,17)(H,18,19)
InChIKeyHOKRRSJGJKLBMV-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.29
Rot. Bonds5

About 2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid

2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid (PubChem CID 43353682) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid
PubChem CID43353682
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)c1ccc(N(C)C)nc1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-7(16)10(12(18)19)14-11(17)8-4-5-9(13-6-8)15(2)3/h4-7,10,16H,1-3H3,(H,14,17)(H,18,19)
InChIKeyHOKRRSJGJKLBMV-UHFFFAOYSA-N
XLogP-0.29
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 16784411
2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 66465881
(2S,3R)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 93306101
3-hydroxy-2-[(6-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43353726
6-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79031520
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
(2S,3R)-3-hydroxy-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 104964409
2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid
CID 23364988
3-[6-(dimethylamino)-3-pyridinyl]-3-oxopropanoic acid
CID 151348465
6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84570463
(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 30066832

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid (CID 43353682) is 2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)c1ccc(N(C)C)nc1)C(=O)O.
What is the InChIKey of 2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid?
The InChIKey is HOKRRSJGJKLBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(16)10(12(18)19)14-11(17)8-4-5-9(13-6-8)15(2)3/h4-7,10,16H,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid?
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid has a molecular weight of 267.29 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 43353682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).