3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid

C13H20N2O2 — CID 82319305

IUPAC3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid
SMILESCc1ccc(N(CCC(=O)O)CC(C)C)nc1
InChIInChI=1S/C13H20N2O2/c1-10(2)9-15(7-6-13(16)17)12-5-4-11(3)8-14-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyMPMNYDAPQNXYSW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.33
Rot. Bonds6

About 3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid

3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid (PubChem CID 82319305) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid
PubChem CID82319305
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid
SMILESCc1ccc(N(CCC(=O)O)CC(C)C)nc1
InChIInChI=1S/C13H20N2O2/c1-10(2)9-15(7-6-13(16)17)12-5-4-11(3)8-14-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyMPMNYDAPQNXYSW-UHFFFAOYSA-N
XLogP2.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid
CID 82319315
3-[carboxymethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82317128
3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 66279259
3-[3-methylbutyl-(5-nitro-2-pyridinyl)amino]propanoic acid
CID 82310195
2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82319778
3-[2-carboxyethyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82319483
3-[3-carboxypropyl-(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82320174
3-[N-(2-hydroxypropyl)-4-methylanilino]propanoic acid
CID 60886015
3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82310239
2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
CID 63064843
3-(5-methyl-2-pyridinyl)propanoic acid
CID 79002141
3-[4-ethyl-N-(2-methylpropyl)anilino]propanoic acid
CID 82319275

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid (CID 82319305) is 3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid is Cc1ccc(N(CCC(=O)O)CC(C)C)nc1.
What is the InChIKey of 3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid?
The InChIKey is MPMNYDAPQNXYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)9-15(7-6-13(16)17)12-5-4-11(3)8-14-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid?
3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 82319305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).