3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid

C10H16N2O3 — CID 114411947

IUPAC3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
SMILESCC1=CCN(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c1-8-3-6-12(7-4-8)10(15)11-5-2-9(13)14/h3H,2,4-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyVYGJACHGSVTTRT-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.82
Rot. Bonds3

About 3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid

3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid (PubChem CID 114411947) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
PubChem CID114411947
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
SMILESCC1=CCN(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c1-8-3-6-12(7-4-8)10(15)11-5-2-9(13)14/h3H,2,4-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyVYGJACHGSVTTRT-UHFFFAOYSA-N
XLogP0.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.82
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

2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 114412030
2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid
CID 114412000
3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411887
ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate
CID 115766428
4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]butanoic acid
CID 114490438
2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411830
2,2-dimethyl-4-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114411236
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 121451628
N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72921925
3-[(4-ethylpiperazine-1-carbonyl)amino]propanoic acid
CID 61190436
2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid
CID 114412005
3-[[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]amino]propanoic acid
CID 122018203

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid (CID 114411947) is 3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid is CC1=CCN(C(=O)NCCC(=O)O)CC1.
What is the InChIKey of 3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
The InChIKey is VYGJACHGSVTTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-8-3-6-12(7-4-8)10(15)11-5-2-9(13)14/h3H,2,4-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 114411947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).