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

C12H17ClN2O2 — CID 82319315

IUPAC3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)c1ccc(Cl)cn1
InChIInChI=1S/C12H17ClN2O2/c1-9(2)8-15(6-5-12(16)17)11-4-3-10(13)7-14-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyPALZAKZRRSJWNR-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.67
Rot. Bonds6

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

3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid (PubChem CID 82319315) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid
PubChem CID82319315
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)c1ccc(Cl)cn1
InChIInChI=1S/C12H17ClN2O2/c1-9(2)8-15(6-5-12(16)17)11-4-3-10(13)7-14-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyPALZAKZRRSJWNR-UHFFFAOYSA-N
XLogP2.67
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid
CID 82319305
3-[3-carboxypropyl-(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82320174
3-[(5-chloro-2-pyridinyl)-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82319223
3-[5-chloro-2-methyl-N-(2-methylpropyl)anilino]propanoic acid
CID 82319242
3-[(5-chloro-2-pyridinyl)-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82320041
3-[3-methylbutyl-(5-nitro-2-pyridinyl)amino]propanoic acid
CID 82310195
3-[5-chloro-2-methoxy-N-(2-methylpropyl)anilino]propanoic acid
CID 82319286
2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid
CID 120964121
3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911992
5-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79491889
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

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid (CID 82319315) is 3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)c1ccc(Cl)cn1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid?
The InChIKey is PALZAKZRRSJWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-9(2)8-15(6-5-12(16)17)11-4-3-10(13)7-14-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid?
3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid has a molecular weight of 256.73 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 82319315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).