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

C9H11ClN2O2 — CID 82316740

IUPAC3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
SMILESCC(CNc1ccc(Cl)cn1)C(=O)O
InChIInChI=1S/C9H11ClN2O2/c1-6(9(13)14)4-11-8-3-2-7(10)5-12-8/h2-3,5-6H,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyWGDSTKRXHADOFK-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.87
Rot. Bonds4

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

3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid (PubChem CID 82316740) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
PubChem CID82316740
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
SMILESCC(CNc1ccc(Cl)cn1)C(=O)O
InChIInChI=1S/C9H11ClN2O2/c1-6(9(13)14)4-11-8-3-2-7(10)5-12-8/h2-3,5-6H,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyWGDSTKRXHADOFK-UHFFFAOYSA-N
XLogP1.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 79035520
(2S)-3-(4-chloroanilino)-2-methylpropanoic acid
CID 93107526
5-chloro-N-(2-cyclopropylpropyl)pyridin-2-amine
CID 115658742
2-methyl-3-(pyrazin-2-ylamino)propanoic acid
CID 62676796
N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide
CID 131985638
4-[(5-chloro-2-pyridinyl)amino]butanoic acid
CID 24698899
5-chloro-N-(3-chlorobutyl)pyridin-2-amine
CID 65028422
N-tert-butyl-2-[(5-chloro-2-pyridinyl)amino]acetamide
CID 79035029
N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide
CID 118917834
2-methyl-3-(pyridin-4-ylamino)propanoic acid
CID 46848736
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid (CID 82316740) is 3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid is CC(CNc1ccc(Cl)cn1)C(=O)O.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid?
The InChIKey is WGDSTKRXHADOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6(9(13)14)4-11-8-3-2-7(10)5-12-8/h2-3,5-6H,4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid?
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid has a molecular weight of 214.65 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82316740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).