3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid

C14H22N2O2 — CID 82318176

IUPAC3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid
SMILESCCCCCN(CCC(=O)O)c1ncccc1C
InChIInChI=1S/C14H22N2O2/c1-3-4-5-10-16(11-8-13(17)18)14-12(2)7-6-9-15-14/h6-7,9H,3-5,8,10-11H2,1-2H3,(H,17,18)
InChIKeyANQMZTCAUVKVSS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.86
Rot. Bonds8

About 3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid

3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid (PubChem CID 82318176) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid
PubChem CID82318176
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid
SMILESCCCCCN(CCC(=O)O)c1ncccc1C
InChIInChI=1S/C14H22N2O2/c1-3-4-5-10-16(11-8-13(17)18)14-12(2)7-6-9-15-14/h6-7,9H,3-5,8,10-11H2,1-2H3,(H,17,18)
InChIKeyANQMZTCAUVKVSS-UHFFFAOYSA-N
XLogP2.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[hexyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82318329
3-(N-heptyl-2,6-dimethylanilino)propanoic acid
CID 82319047
3-[(3-cyanophenyl)methyl-(3-methyl-2-pyridinyl)amino]propanoic acid
CID 82320394
N-(2-bromoethyl)-3-methyl-N-propylpyridin-2-amine
CID 80674717
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
CID 115982199
3-[ethyl-(3-methyl-2-pyridinyl)amino]propanethioamide
CID 62253148
3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82318925
2-(N-butyl-2,6-dimethylanilino)acetic acid
CID 70523959
3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid
CID 83062665
4-[2-carboxyethyl(hexyl)amino]benzoic acid
CID 82318275
3-(2-methoxy-N-pentylanilino)propanoic acid
CID 82318150
N,N-dibutyl-3-chloropyridin-2-amine
CID 135025261

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid?
The IUPAC name of 3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid (CID 82318176) is 3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid.
What is the SMILES notation for 3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid?
The canonical SMILES for 3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid is CCCCCN(CCC(=O)O)c1ncccc1C.
What is the InChIKey of 3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid?
The InChIKey is ANQMZTCAUVKVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-5-10-16(11-8-13(17)18)14-12(2)7-6-9-15-14/h6-7,9H,3-5,8,10-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid?
3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid has a molecular weight of 250.34 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid is sourced from PubChem (CID 82318176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).