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

C14H21N3O3 — CID 65223408

IUPAC2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccnc(N(C)C)c1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-5-11(14(19)20)9-16-13(18)10-6-7-15-12(8-10)17(2)3/h6-8,11H,4-5,9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyZXEJQTXWWFHXCP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.38
Rot. Bonds7

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

2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid (PubChem CID 65223408) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid
PubChem CID65223408
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccnc(N(C)C)c1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-5-11(14(19)20)9-16-13(18)10-6-7-15-12(8-10)17(2)3/h6-8,11H,4-5,9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyZXEJQTXWWFHXCP-UHFFFAOYSA-N
XLogP1.38
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 114006582
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(dimethylamino)pyridine-4-carboxamide
CID 114152484
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219660
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 43171682
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
CID 62480013
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid
CID 61155509
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid
CID 60989436
(2S,3R)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 93306101
2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217823

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid (CID 65223408) is 2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)c1ccnc(N(C)C)c1)C(=O)O.
What is the InChIKey of 2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid?
The InChIKey is ZXEJQTXWWFHXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-5-11(14(19)20)9-16-13(18)10-6-7-15-12(8-10)17(2)3/h6-8,11H,4-5,9H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid?
2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65223408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).