2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid

C86H92F6N10O16 — CID 167661342

IUPAC2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC(CO)Cc1ccccn1.CC(C)(C)OC(=O)NC(Cc1ccccn1)C(=O)O.NC(CO)Cc1ccccn1.NC(Cc1ccccn1)C(=O)O.O=C(NC(CO)Cc1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C26H21F3N2O3.C18H11F3O3.C13H18N2O4.C13H20N2O3.C8H10N2O2.C8H12N2O/c27-26(28,29)19-8-10-22(11-9-19)34-24-6-3-4-17-14-18(7-12-23(17)24)25(33)31-21(16-32)15-20-5-1-2-13-30-20;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-13(2,3)19-12(18)15-10(11(16)17)8-9-6-4-5-7-14-9;1-13(2,3)18-12(17)15-11(9-16)8-10-6-4-5-7-14-10;9-7(8(11)12)5-6-3-1-2-4-10-6;9-7(6-11)5-8-3-1-2-4-10-8/h1-14,21,32H,15-16H2,(H,31,33);1-10H,(H,22,23);4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17);4-7,11,16H,8-9H2,1-3H3,(H,15,17);1-4,7H,5,9H2,(H,11,12);1-4,7,11H,5-6,9H2
InChIKeyRZRRYMHQOBVCJN-UHFFFAOYSA-N
MW1635.72 g/mol
LogP13.82
Rot. Bonds24

About 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid

2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid (PubChem CID 167661342) has the molecular formula C86H92F6N10O16 and a molecular weight of 1635.72 g/mol. Its IUPAC name is 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
PubChem CID167661342
Molecular FormulaC86H92F6N10O16
Molecular Weight1635.72 g/mol
Exact Mass1634.66
IUPAC Name2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC(CO)Cc1ccccn1.CC(C)(C)OC(=O)NC(Cc1ccccn1)C(=O)O.NC(CO)Cc1ccccn1.NC(Cc1ccccn1)C(=O)O.O=C(NC(CO)Cc1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C26H21F3N2O3.C18H11F3O3.C13H18N2O4.C13H20N2O3.C8H10N2O2.C8H12N2O/c27-26(28,29)19-8-10-22(11-9-19)34-24-6-3-4-17-14-18(7-12-23(17)24)25(33)31-21(16-32)15-20-5-1-2-13-30-20;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-13(2,3)19-12(18)15-10(11(16)17)8-9-6-4-5-7-14-9;1-13(2,3)18-12(17)15-11(9-16)8-10-6-4-5-7-14-10;9-7(8(11)12)5-6-3-1-2-4-10-6;9-7(6-11)5-8-3-1-2-4-10-8/h1-14,21,32H,15-16H2,(H,31,33);1-10H,(H,22,23);4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17);4-7,11,16H,8-9H2,1-3H3,(H,15,17);1-4,7H,5,9H2,(H,11,12);1-4,7,11H,5-6,9H2
InChIKeyRZRRYMHQOBVCJN-UHFFFAOYSA-N
XLogP13.82
TPSA413.30 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001635.72
LogP ≤ 513.82
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Analyze 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid with MolForge

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Related Compounds

2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 157084878
N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213959
N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide
CID 175540778
propane;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 163266760
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
N-[2-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155254814
N-[(2R,3S)-4-amino-3-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155223368
methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161221161
N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 176698652
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]propanoic acid
CID 154815308
N-[1-(1-benzothiophen-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214112

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid (CID 167661342) is 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid is CC(C)(C)OC(=O)NC(CO)Cc1ccccn1.CC(C)(C)OC(=O)NC(Cc1ccccn1)C(=O)O.NC(CO)Cc1ccccn1.NC(Cc1ccccn1)C(=O)O.O=C(NC(CO)Cc1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The InChIKey is RZRRYMHQOBVCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O3.C18H11F3O3.C13H18N2O4.C13H20N2O3.C8H10N2O2.C8H12N2O/c27-26(28,29)19-8-10-22(11-9-19)34-24-6-3-4-17-14-18(7-12-23(17)24)25(33)31-21(16-32)15-20-5-1-2-13-30-20;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-13(2,3)19-12(18)15-10(11(16)17)8-9-6-4-5-7-14-9;1-13(2,3)18-12(17)15-11(9-16)8-10-6-4-5-7-14-10;9-7(8(11)12)5-6-3-1-2-4-10-6;9-7(6-11)5-8-3-1-2-4-10-8/h1-14,21,32H,15-16H2,(H,31,33);1-10H,(H,22,23);4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17);4-7,11,16H,8-9H2,1-3H3,(H,15,17);1-4,7H,5,9H2,(H,11,12);1-4,7,11H,5-6,9H2.
What are the key properties of 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid has a molecular weight of 1635.72 g/mol, XLogP of 13.82, 24 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 167661342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).