azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate

C22H25N3O3 — CID 174391409

IUPACazane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate
SMILESN.NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)OCc1ccccc1
InChIInChI=1S/C22H22N2O3.H3N/c23-21(22(25)27-16-18-9-5-2-6-10-18)13-19-11-12-20(14-24-19)26-15-17-7-3-1-4-8-17;/h1-12,14,21H,13,15-16,23H2;1H3
InChIKeyZQVBNYNJOITITB-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.44
Rot. Bonds8

About azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate

azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate (PubChem CID 174391409) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate.

Molecular Properties

Compound Nameazane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate
PubChem CID174391409
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Nameazane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate
SMILESN.NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)OCc1ccccc1
InChIInChI=1S/C22H22N2O3.H3N/c23-21(22(25)27-16-18-9-5-2-6-10-18)13-19-11-12-20(14-24-19)26-15-17-7-3-1-4-8-17;/h1-12,14,21H,13,15-16,23H2;1H3
InChIKeyZQVBNYNJOITITB-UHFFFAOYSA-N
XLogP3.44
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-phenylmethoxy-2-pyridinyl)propanamide
CID 167598838
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
2-(butoxycarbonylamino)-3-(5-phenylmethoxy-2-pyridinyl)propanoic acid
CID 67601214
2-[carboxy-[(2-methylpropan-2-yl)oxy]amino]-3-(5-phenylmethoxy-2-pyridinyl)propanoic acid
CID 141065131
[4-(hydroxycarbamoyl)phenyl]methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-phenylmethoxy-2-pyridinyl)propanoate
CID 87232487
benzyl (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoate
CID 102137905
benzyl 2,3-diaminopropanoate
CID 19891176
(E)-3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 129315372
3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 79800407
(3S)-3-amino-4-oxo-4-phenylmethoxybutanoate
CID 51722874
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424

Frequently Asked Questions

What is the IUPAC name of azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate?
The IUPAC name of azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate (CID 174391409) is azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate.
What is the SMILES notation for azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate?
The canonical SMILES for azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate is N.NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)OCc1ccccc1.
What is the InChIKey of azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate?
The InChIKey is ZQVBNYNJOITITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3.H3N/c23-21(22(25)27-16-18-9-5-2-6-10-18)13-19-11-12-20(14-24-19)26-15-17-7-3-1-4-8-17;/h1-12,14,21H,13,15-16,23H2;1H3.
What are the key properties of azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate?
azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate has a molecular weight of 379.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate is sourced from PubChem (CID 174391409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).