2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid

C12H18N2O3 — CID 114990587

IUPAC2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid
SMILESCOCC(C)NC(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C12H18N2O3/c1-9(8-17-3)14-12(2,11(15)16)10-4-6-13-7-5-10/h4-7,9,14H,8H2,1-3H3,(H,15,16)
InChIKeyLTRYIXLDUZHSRK-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.01
Rot. Bonds6

About 2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid

2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid (PubChem CID 114990587) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid
PubChem CID114990587
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid
SMILESCOCC(C)NC(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C12H18N2O3/c1-9(8-17-3)14-12(2,11(15)16)10-4-6-13-7-5-10/h4-7,9,14H,8H2,1-3H3,(H,15,16)
InChIKeyLTRYIXLDUZHSRK-UHFFFAOYSA-N
XLogP1.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 61024665
2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid
CID 114990339
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
2-(benzylamino)-2-pyridin-4-ylpropanamide
CID 54891502
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54908415
2-(butylamino)-2-pyridin-4-ylpropanoic acid
CID 114988882
2-methoxy-2-pyridin-4-ylpropanoic acid
CID 82236563
2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid
CID 82238702
methyl 2-(propylamino)-2-pyridin-4-ylpropanoate
CID 60795990
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204
2-(butan-2-ylamino)-2-(3-chlorophenyl)propanoic acid
CID 61024539
2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754261

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid (CID 114990587) is 2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid is COCC(C)NC(C)(C(=O)O)c1ccncc1.
What is the InChIKey of 2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid?
The InChIKey is LTRYIXLDUZHSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(8-17-3)14-12(2,11(15)16)10-4-6-13-7-5-10/h4-7,9,14H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid?
2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 114990587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).