(2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

C20H24N2O5 — CID 177146949

IUPAC(2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCc1cccc(Oc2ccc(C(=O)N[C@@H](COC(C)(C)C)C(=O)O)cn2)c1
InChIInChI=1S/C20H24N2O5/c1-13-6-5-7-15(10-13)27-17-9-8-14(11-21-17)18(23)22-16(19(24)25)12-26-20(2,3)4/h5-11,16H,12H2,1-4H3,(H,22,23)(H,24,25)/t16-/m0/s1
InChIKeyGHOPQOPDIHHJNA-INIZCTEOSA-N
MW372.42 g/mol
LogP3.18
Rot. Bonds7

About (2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

(2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid (PubChem CID 177146949) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is (2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
PubChem CID177146949
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name(2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCc1cccc(Oc2ccc(C(=O)N[C@@H](COC(C)(C)C)C(=O)O)cn2)c1
InChIInChI=1S/C20H24N2O5/c1-13-6-5-7-15(10-13)27-17-9-8-14(11-21-17)18(23)22-16(19(24)25)12-26-20(2,3)4/h5-11,16H,12H2,1-4H3,(H,22,23)(H,24,25)/t16-/m0/s1
InChIKeyGHOPQOPDIHHJNA-INIZCTEOSA-N
XLogP3.18
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid with MolForge

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Related Compounds

3-[[5-[[(2S)-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]carbamoyl]-2-pyridinyl]oxy]benzoic acid
CID 175985599
3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid
CID 120535841
6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 78887929
(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(pyrazine-2-carbonylamino)propanoic acid
CID 53362907
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533664
4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid
CID 120703222
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712
2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119223780
methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
CID 78889163
2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119223350
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
(E)-2-[[6-(4-chlorophenoxy)pyridine-3-carbonyl]amino]-5,5-dimethylhex-3-enoic acid
CID 168912024

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The IUPAC name of (2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid (CID 177146949) is (2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid.
What is the SMILES notation for (2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The canonical SMILES for (2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid is Cc1cccc(Oc2ccc(C(=O)N[C@@H](COC(C)(C)C)C(=O)O)cn2)c1.
What is the InChIKey of (2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The InChIKey is GHOPQOPDIHHJNA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13-6-5-7-15(10-13)27-17-9-8-14(11-21-17)18(23)22-16(19(24)25)12-26-20(2,3)4/h5-11,16H,12H2,1-4H3,(H,22,23)(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid?
(2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid has a molecular weight of 372.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid is sourced from PubChem (CID 177146949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).