2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid

C19H22N2O3 — CID 122100417

IUPAC2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1cncc(OCc2ccccc2)c1)C1CC1
InChIInChI=1S/C19H22N2O3/c1-14(19(22)23)21(17-7-8-17)12-16-9-18(11-20-10-16)24-13-15-5-3-2-4-6-15/h2-6,9-11,14,17H,7-8,12-13H2,1H3,(H,22,23)
InChIKeyDISQJNTUFZESJY-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds8

About 2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid

2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid (PubChem CID 122100417) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid
PubChem CID122100417
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1cncc(OCc2ccccc2)c1)C1CC1
InChIInChI=1S/C19H22N2O3/c1-14(19(22)23)21(17-7-8-17)12-16-9-18(11-20-10-16)24-13-15-5-3-2-4-6-15/h2-6,9-11,14,17H,7-8,12-13H2,1H3,(H,22,23)
InChIKeyDISQJNTUFZESJY-UHFFFAOYSA-N
XLogP3.10
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 122083043
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
3-pentan-2-yl-5-phenylmethoxypyridine
CID 166644961
N-methyl-5-phenylmethoxypyridine-3-carboxamide
CID 123214761
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid
CID 122083066
(3aS,6aS)-1-(5-phenylmethoxy-3-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid
CID 68695924
2-[cyclopropyl-[3-(3,5-dimethylphenoxy)propyl]amino]propanoic acid
CID 122083029
2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 146135825

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid (CID 122100417) is 2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid is CC(C(=O)O)N(Cc1cncc(OCc2ccccc2)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid?
The InChIKey is DISQJNTUFZESJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(19(22)23)21(17-7-8-17)12-16-9-18(11-20-10-16)24-13-15-5-3-2-4-6-15/h2-6,9-11,14,17H,7-8,12-13H2,1H3,(H,22,23).
What are the key properties of 2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid?
2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid has a molecular weight of 326.40 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid is sourced from PubChem (CID 122100417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).