3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid

C18H18N2O4 — CID 120535841

IUPAC3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(NC(CC1CC1)C(=O)O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H18N2O4/c21-17(20-15(18(22)23)10-12-6-7-12)13-8-9-16(19-11-13)24-14-4-2-1-3-5-14/h1-5,8-9,11-12,15H,6-7,10H2,(H,20,21)(H,22,23)
InChIKeyJRUHFZXLHZXGEE-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.86
Rot. Bonds7

About 3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid

3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid (PubChem CID 120535841) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid
PubChem CID120535841
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(NC(CC1CC1)C(=O)O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H18N2O4/c21-17(20-15(18(22)23)10-12-6-7-12)13-8-9-16(19-11-13)24-14-4-2-1-3-5-14/h1-5,8-9,11-12,15H,6-7,10H2,(H,20,21)(H,22,23)
InChIKeyJRUHFZXLHZXGEE-UHFFFAOYSA-N
XLogP2.86
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid
CID 120535706
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
CID 78889163
(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid
CID 121414201
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
(2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 177146949
2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119223780
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
(2S)-2-[(3-aminobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 112734855
[(1R)-1-[[(2R)-2-benzyl-4-oxo-4-(6-phenoxy-3-pyridinyl)butanoyl]amino]-2-cyclobutylethyl]boronic acid
CID 152856233
3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid
CID 120535828
N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide
CID 78888100

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid (CID 120535841) is 3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid is O=C(NC(CC1CC1)C(=O)O)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is JRUHFZXLHZXGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(20-15(18(22)23)10-12-6-7-12)13-8-9-16(19-11-13)24-14-4-2-1-3-5-14/h1-5,8-9,11-12,15H,6-7,10H2,(H,20,21)(H,22,23).
What are the key properties of 3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid?
3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 326.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120535841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).