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

C13H19N3O3 — CID 93252378

IUPAC(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1ccnc(N(C)C)c1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-5-10(13(18)19)15-12(17)9-6-7-14-11(8-9)16(2)3/h6-8,10H,4-5H2,1-3H3,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyGPNPKQIOBIZJIQ-JTQLQIEISA-N
MW265.31 g/mol
LogP1.13
Rot. Bonds6

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

(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid (PubChem CID 93252378) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
PubChem CID93252378
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1ccnc(N(C)C)c1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-5-10(13(18)19)15-12(17)9-6-7-14-11(8-9)16(2)3/h6-8,10H,4-5H2,1-3H3,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyGPNPKQIOBIZJIQ-JTQLQIEISA-N
XLogP1.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid
CID 81076482
2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid
CID 65223408
2-(quinoxaline-6-carbonylamino)pentanoic acid
CID 62849348
(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-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 114036636
2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799343
(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
CID 107563826

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid (CID 93252378) is (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid is CCC[C@H](NC(=O)c1ccnc(N(C)C)c1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid?
The InChIKey is GPNPKQIOBIZJIQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-5-10(13(18)19)15-12(17)9-6-7-14-11(8-9)16(2)3/h6-8,10H,4-5H2,1-3H3,(H,15,17)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid?
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 93252378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).