2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid

C9H11ClN2O2 — CID 120964121

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)c1ccc(Cl)cn1
InChIInChI=1S/C9H11ClN2O2/c1-6(9(13)14)12(2)8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,13,14)
InChIKeyBSNRLYMZYKHPRS-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.64
Rot. Bonds3

About 2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid

2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid (PubChem CID 120964121) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid
PubChem CID120964121
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)c1ccc(Cl)cn1
InChIInChI=1S/C9H11ClN2O2/c1-6(9(13)14)12(2)8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,13,14)
InChIKeyBSNRLYMZYKHPRS-UHFFFAOYSA-N
XLogP1.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-pyridinyl)-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82320041
3-[(5-chloro-2-pyridinyl)-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82319223
3-[(5-chloro-2-pyridinyl)-(2-methylpropyl)amino]propanoic acid
CID 82319315
3-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-ethylamino]-2-methylpropanoic acid
CID 62825947
3-[3-carboxypropyl-(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82320174
2-[1-carboxyethyl(methyl)amino]-5-chlorobenzoic acid
CID 19750856
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914456
N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine
CID 60870394
2-[(5-chloro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 61150137
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115747739
2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43353427
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid (CID 120964121) is 2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)c1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid?
The InChIKey is BSNRLYMZYKHPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6(9(13)14)12(2)8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid?
2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid has a molecular weight of 214.65 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid is sourced from PubChem (CID 120964121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).