2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid

C12H16N2O2 — CID 83837701

IUPAC2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid
SMILESCc1cncc(C)c1N(CC(=O)O)C1CC1
InChIInChI=1S/C12H16N2O2/c1-8-5-13-6-9(2)12(8)14(7-11(15)16)10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyZTHIFSQKJPRGAX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.75
Rot. Bonds4

About 2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid

2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid (PubChem CID 83837701) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid
PubChem CID83837701
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid
SMILESCc1cncc(C)c1N(CC(=O)O)C1CC1
InChIInChI=1S/C12H16N2O2/c1-8-5-13-6-9(2)12(8)14(7-11(15)16)10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyZTHIFSQKJPRGAX-UHFFFAOYSA-N
XLogP1.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid
CID 114474311
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
2-[cyclopropyl(pyrazin-2-yl)amino]acetic acid
CID 60838156
2-(N-cyclopropyl-2-methyl-6-nitroanilino)acetic acid
CID 115551024
2-[cyclopropyl-(6-methyl-2-pyridinyl)amino]acetic acid
CID 83833314
2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid
CID 62131478
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid
CID 81274144
2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid
CID 62832412
2-[cyclopentyl(pyridin-3-yl)amino]acetic acid
CID 83822381
2-[cyclopentyl(pyrazin-2-yl)amino]acetic acid
CID 60838829
2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid
CID 54945667

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid (CID 83837701) is 2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid is Cc1cncc(C)c1N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid?
The InChIKey is ZTHIFSQKJPRGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-5-13-6-9(2)12(8)14(7-11(15)16)10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid?
2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid has a molecular weight of 220.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid is sourced from PubChem (CID 83837701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).