methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate

C9H11ClN2O2 — CID 43515165

IUPACmethyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ncccc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6(9(13)14-2)12-8-7(10)4-3-5-11-8/h3-6H,1-2H3,(H,11,12)
InChIKeySRELGNNDCPAUNK-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.71
Rot. Bonds3

About methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate

methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate (PubChem CID 43515165) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
PubChem CID43515165
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Namemethyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ncccc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6(9(13)14-2)12-8-7(10)4-3-5-11-8/h3-6H,1-2H3,(H,11,12)
InChIKeySRELGNNDCPAUNK-UHFFFAOYSA-N
XLogP1.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407922
methyl 2-[(3-carbamothioyl-2-pyridinyl)amino]propanoate
CID 61497791
methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate
CID 43515153
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
methyl 2-[(2,5-dichloropyrimidin-4-yl)amino]propanoate
CID 79632906
methyl 2-[(3-carbamothioylpyrazin-2-yl)amino]propanoate
CID 62683776
methyl 2-(2-amino-3-chloroanilino)propanoate
CID 104834283
3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 115689298
methyl 2-(2-amino-6-chloroanilino)propanoate
CID 61499348
1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
CID 103886204
methyl 2-(3-chloropyridine-2-carbonyl)-3-methylbutanoate
CID 103445027
methyl 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]propanoate
CID 79076713

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate?
The IUPAC name of methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate (CID 43515165) is methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate?
The canonical SMILES for methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate is COC(=O)C(C)Nc1ncccc1Cl.
What is the InChIKey of methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate?
The InChIKey is SRELGNNDCPAUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6(9(13)14-2)12-8-7(10)4-3-5-11-8/h3-6H,1-2H3,(H,11,12).
What are the key properties of methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate?
methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate has a molecular weight of 214.65 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 43515165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).