2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid

C12H18N2O2 — CID 61001676

IUPAC2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid
SMILESCC(C)CNC(C)(C(=O)O)c1ccccn1
InChIInChI=1S/C12H18N2O2/c1-9(2)8-14-12(3,11(15)16)10-6-4-5-7-13-10/h4-7,9,14H,8H2,1-3H3,(H,15,16)
InChIKeyWYIQTLAJHYBXBN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.63
Rot. Bonds5

About 2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid

2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid (PubChem CID 61001676) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid
PubChem CID61001676
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid
SMILESCC(C)CNC(C)(C(=O)O)c1ccccn1
InChIInChI=1S/C12H18N2O2/c1-9(2)8-14-12(3,11(15)16)10-6-4-5-7-13-10/h4-7,9,14H,8H2,1-3H3,(H,15,16)
InChIKeyWYIQTLAJHYBXBN-UHFFFAOYSA-N
XLogP1.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid
CID 70071240
2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677
2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990979
2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61002876
2-hydroxy-3-methyl-2-pyridin-2-ylbutanoic acid
CID 83698678
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
2-cyclopropyl-2-pyridin-2-ylpropanoic acid
CID 70421817
methyl (2R)-2-(methylamino)-2-pyridin-2-ylpropanoate
CID 93309846
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
ethyl 2-(methylamino)-2-pyridin-2-ylpropanoate
CID 60788232
acetic acid;2-(1,1-difluoroethyl)pyridine
CID 174788262
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid (CID 61001676) is 2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid is CC(C)CNC(C)(C(=O)O)c1ccccn1.
What is the InChIKey of 2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid?
The InChIKey is WYIQTLAJHYBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)8-14-12(3,11(15)16)10-6-4-5-7-13-10/h4-7,9,14H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid?
2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 61001676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).