2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid

C11H18N2O3 — CID 114411684

IUPAC2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1CC=CCC1
InChIInChI=1S/C11H18N2O3/c1-9(2)13(8-10(14)15)11(16)12-6-4-3-5-7-12/h3-4,9H,5-8H2,1-2H3,(H,14,15)
InChIKeyXOJOGPFVEIGVGJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.16
Rot. Bonds3

About 2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid

2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid (PubChem CID 114411684) 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-carbonyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid
PubChem CID114411684
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1CC=CCC1
InChIInChI=1S/C11H18N2O3/c1-9(2)13(8-10(14)15)11(16)12-6-4-3-5-7-12/h3-4,9H,5-8H2,1-2H3,(H,14,15)
InChIKeyXOJOGPFVEIGVGJ-UHFFFAOYSA-N
XLogP1.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 102961835
2-[propan-2-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid
CID 114490450
1-(3,6-dihydro-2H-pyridin-1-yl)-2-(dimethylamino)ethanone
CID 91175888
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 61201269
2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61443277
2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 62775745
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 64598633
2-[1,4-diazepane-1-carbonyl(propan-2-yl)amino]acetic acid
CID 61402822
2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 81474434
3-[(3,6-dihydro-2H-pyridine-1-carbonylamino)methyl]-5-methylhexanoic acid
CID 114411666
4-[[3,6-dihydro-2H-pyridine-1-carbonyl(methyl)amino]methyl]benzoic acid
CID 114411559
3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one
CID 114408795

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid (CID 114411684) is 2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)C(=O)N1CC=CCC1.
What is the InChIKey of 2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid?
The InChIKey is XOJOGPFVEIGVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-9(2)13(8-10(14)15)11(16)12-6-4-3-5-7-12/h3-4,9H,5-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid?
2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 114411684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).