2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid

C18H19N5O4 — CID 66527838

IUPAC2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid
SMILESCOc1cc(CNC(C)C(=O)O)ccc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C18H19N5O4/c1-12(17(24)25)19-11-13-8-9-15(16(10-13)26-2)27-18-20-21-22-23(18)14-6-4-3-5-7-14/h3-10,12,19H,11H2,1-2H3,(H,24,25)
InChIKeyRDQZXOVUASNVDC-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.03
Rot. Bonds8

About 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid

2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid (PubChem CID 66527838) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid
PubChem CID66527838
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid
SMILESCOc1cc(CNC(C)C(=O)O)ccc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C18H19N5O4/c1-12(17(24)25)19-11-13-8-9-15(16(10-13)26-2)27-18-20-21-22-23(18)14-6-4-3-5-7-14/h3-10,12,19H,11H2,1-2H3,(H,24,25)
InChIKeyRDQZXOVUASNVDC-UHFFFAOYSA-N
XLogP2.03
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206363
2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 17206350
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-2-amine
CID 17206343
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 17206223
2-chloro-5-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]benzoic acid
CID 66538787
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 17216172
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]heptan-1-amine;hydrochloride
CID 17212445
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
CID 17206227
2-(4-methoxyphenyl)-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17212453
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine;hydrochloride
CID 17206226
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17206314

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid?
The IUPAC name of 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid (CID 66527838) is 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid.
What is the SMILES notation for 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid?
The canonical SMILES for 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid is COc1cc(CNC(C)C(=O)O)ccc1Oc1nnnn1-c1ccccc1.
What is the InChIKey of 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid?
The InChIKey is RDQZXOVUASNVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-12(17(24)25)19-11-13-8-9-15(16(10-13)26-2)27-18-20-21-22-23(18)14-6-4-3-5-7-14/h3-10,12,19H,11H2,1-2H3,(H,24,25).
What are the key properties of 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid?
2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid has a molecular weight of 369.38 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid is sourced from PubChem (CID 66527838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).