2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid

C16H25N3O2 — CID 82319778

IUPAC2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid
SMILESCc1ccc(N(CCN2CCCC2)CC(C)C(=O)O)nc1
InChIInChI=1S/C16H25N3O2/c1-13-5-6-15(17-11-13)19(12-14(2)16(20)21)10-9-18-7-3-4-8-18/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,20,21)
InChIKeyDSEXZAOMRSMMAD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.01
Rot. Bonds7

About 2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid

2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid (PubChem CID 82319778) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid
PubChem CID82319778
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid
SMILESCc1ccc(N(CCN2CCCC2)CC(C)C(=O)O)nc1
InChIInChI=1S/C16H25N3O2/c1-13-5-6-15(17-11-13)19(12-14(2)16(20)21)10-9-18-7-3-4-8-18/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,20,21)
InChIKeyDSEXZAOMRSMMAD-UHFFFAOYSA-N
XLogP2.01
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 66279259
3-[carboxymethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82317128
2-methyl-3-[2-piperidin-1-ylethyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82310458
3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid
CID 82319305
3-[(5-chloro-2-pyridinyl)-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82319223
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid
CID 82320054
6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 63208877
3-[(5-chloro-2-pyridinyl)-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82320041
3-[3-carboxypropyl-(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82320174
1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207733
3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 63208615
2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid
CID 82321548

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid (CID 82319778) is 2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid is Cc1ccc(N(CCN2CCCC2)CC(C)C(=O)O)nc1.
What is the InChIKey of 2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The InChIKey is DSEXZAOMRSMMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-5-6-15(17-11-13)19(12-14(2)16(20)21)10-9-18-7-3-4-8-18/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid is sourced from PubChem (CID 82319778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).