2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid

C11H18N2O3 — CID 114411673

IUPAC2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)N1CC=CCC1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-2-6-9(10(14)15)12-11(16)13-7-4-3-5-8-13/h3-4,9H,2,5-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyNZKCPZITLANHFL-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.21
Rot. Bonds4

About 2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid

2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid (PubChem CID 114411673) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid
PubChem CID114411673
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)N1CC=CCC1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-2-6-9(10(14)15)12-11(16)13-7-4-3-5-8-13/h3-4,9H,2,5-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyNZKCPZITLANHFL-UHFFFAOYSA-N
XLogP1.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid
CID 107567733
2-(3,6-dihydro-2H-pyridine-1-carbonylamino)-4-methylsulfanylbutanoic acid
CID 114411644
(2S)-5-amino-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)-5-oxopentanoic acid
CID 104921466
(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567840
(2S)-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)-3-methylpentanoic acid
CID 104921445
(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107565857
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
(2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107566252
(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 107566616
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567485
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid?
The IUPAC name of 2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid (CID 114411673) is 2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid is CCCC(NC(=O)N1CC=CCC1)C(=O)O.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid?
The InChIKey is NZKCPZITLANHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-6-9(10(14)15)12-11(16)13-7-4-3-5-8-13/h3-4,9H,2,5-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid?
2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid is sourced from PubChem (CID 114411673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).