4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid

C15H24N2O2 — CID 122044126

IUPAC4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid
SMILESCc1ccc(CCCNC(CC(C)C)C(=O)O)cn1
InChIInChI=1S/C15H24N2O2/c1-11(2)9-14(15(18)19)16-8-4-5-13-7-6-12(3)17-10-13/h6-7,10-11,14,16H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyXJTGOQWMLUXCIH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.41
Rot. Bonds8

About 4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid

4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid (PubChem CID 122044126) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid
PubChem CID122044126
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid
SMILESCc1ccc(CCCNC(CC(C)C)C(=O)O)cn1
InChIInChI=1S/C15H24N2O2/c1-11(2)9-14(15(18)19)16-8-4-5-13-7-6-12(3)17-10-13/h6-7,10-11,14,16H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyXJTGOQWMLUXCIH-UHFFFAOYSA-N
XLogP2.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

L-4-Pyridylalanine
CID 7009701
Isodesmosine
CID 13811
3-(3-Pyridyl)alanine
CID 152953
N-(Carboxymethyl)-3-Cyclohexyl-D-Alanyl-N-({6-[amino(Imino)methyl]pyridin-3-Yl}methyl)-N~2~-Methyl-L-Alaninamide
CID 11963488
3,4-Dimethyl-6-[(pyridin-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2826209
4-{[(Pyridin-4-ylmethyl)amino]methyl}cyclohexanecarboxylic acid
CID 5210552
3-Amino-3-(pyridin-3-yl)propanoic acid
CID 3606547
3-(3-Methylpyridin-2-yl)propanoic acid
CID 28924889
6-[(Pyridin-4-ylmethyl)amino]hexanoic acid
CID 3240263
(S)-3-Methyl-2-(3-pyridin-2-ylmethyl-ureido)-pentanoic acid methyl ester
CID 9551668
(Z)-7-Pyridin-3-yl-oct-6-enoic acid
CID 13417280
7-Pyridin-3-yl-oct-6-enoic acid
CID 13417281

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid (CID 122044126) is 4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid is Cc1ccc(CCCNC(CC(C)C)C(=O)O)cn1.
What is the InChIKey of 4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid?
The InChIKey is XJTGOQWMLUXCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)9-14(15(18)19)16-8-4-5-13-7-6-12(3)17-10-13/h6-7,10-11,14,16H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid?
4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid is sourced from PubChem (CID 122044126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).