3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid

C12H17N3O3 — CID 60989436

IUPAC3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccnc(N(C)C)c1
InChIInChI=1S/C12H17N3O3/c1-14(2)10-8-9(4-6-13-10)12(18)15(3)7-5-11(16)17/h4,6,8H,5,7H2,1-3H3,(H,16,17)
InChIKeyBUXIZIAMOFBTPT-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.69
Rot. Bonds5

About 3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid

3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid (PubChem CID 60989436) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid
PubChem CID60989436
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccnc(N(C)C)c1
InChIInChI=1S/C12H17N3O3/c1-14(2)10-8-9(4-6-13-10)12(18)15(3)7-5-11(16)17/h4,6,8H,5,7H2,1-3H3,(H,16,17)
InChIKeyBUXIZIAMOFBTPT-UHFFFAOYSA-N
XLogP0.69
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid
CID 61021274
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 120884650
3-[(3-bromobenzoyl)-methylamino]propanoic acid
CID 60989178
2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid
CID 65223408
(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 114006582
2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 103857495
3-[(4-fluoro-3-methoxybenzoyl)-methylamino]propanoic acid
CID 81283720
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 43171682
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 60989966
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid (CID 60989436) is 3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)c1ccnc(N(C)C)c1.
What is the InChIKey of 3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid?
The InChIKey is BUXIZIAMOFBTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-14(2)10-8-9(4-6-13-10)12(18)15(3)7-5-11(16)17/h4,6,8H,5,7H2,1-3H3,(H,16,17).
What are the key properties of 3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid?
3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 60989436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).