2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid

C12H18N2O2 — CID 61001677

IUPAC2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
SMILESCC(C)CNC(C)(C(=O)O)c1cccnc1
InChIInChI=1S/C12H18N2O2/c1-9(2)7-14-12(3,11(15)16)10-5-4-6-13-8-10/h4-6,8-9,14H,7H2,1-3H3,(H,15,16)
InChIKeyCBSNNLRPYYJVJG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.63
Rot. Bonds5

About 2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid

2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid (PubChem CID 61001677) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
PubChem CID61001677
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
SMILESCC(C)CNC(C)(C(=O)O)c1cccnc1
InChIInChI=1S/C12H18N2O2/c1-9(2)7-14-12(3,11(15)16)10-5-4-6-13-8-10/h4-6,8-9,14H,7H2,1-3H3,(H,15,16)
InChIKeyCBSNNLRPYYJVJG-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-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
CID 61002220
2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
CID 114990589
2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid
CID 114990173
2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid
CID 61001676
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
CID 60991839
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid
CID 60993841
4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol
CID 66002674
2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115256328
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid
CID 63704055

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid (CID 61001677) is 2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid is CC(C)CNC(C)(C(=O)O)c1cccnc1.
What is the InChIKey of 2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid?
The InChIKey is CBSNNLRPYYJVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)7-14-12(3,11(15)16)10-5-4-6-13-8-10/h4-6,8-9,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid?
2-(2-methylpropylamino)-2-pyridin-3-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-3-ylpropanoic acid is sourced from PubChem (CID 61001677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).