2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid

C19H25N5O4 — CID 86207484

IUPAC2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid
SMILESCn1nnc(-c2ccc(OCC(=O)NCC3(CC(=O)O)CCCCC3)cc2)n1
InChIInChI=1S/C19H25N5O4/c1-24-22-18(21-23-24)14-5-7-15(8-6-14)28-12-16(25)20-13-19(11-17(26)27)9-3-2-4-10-19/h5-8H,2-4,9-13H2,1H3,(H,20,25)(H,26,27)
InChIKeyQGCUXOZYYOVBJR-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.80
Rot. Bonds8

About 2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid

2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid (PubChem CID 86207484) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid
PubChem CID86207484
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid
SMILESCn1nnc(-c2ccc(OCC(=O)NCC3(CC(=O)O)CCCCC3)cc2)n1
InChIInChI=1S/C19H25N5O4/c1-24-22-18(21-23-24)14-5-7-15(8-6-14)28-12-16(25)20-13-19(11-17(26)27)9-3-2-4-10-19/h5-8H,2-4,9-13H2,1H3,(H,20,25)(H,26,27)
InChIKeyQGCUXOZYYOVBJR-UHFFFAOYSA-N
XLogP1.80
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid (CID 86207484) is 2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid is Cn1nnc(-c2ccc(OCC(=O)NCC3(CC(=O)O)CCCCC3)cc2)n1.
What is the InChIKey of 2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid?
The InChIKey is QGCUXOZYYOVBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-24-22-18(21-23-24)14-5-7-15(8-6-14)28-12-16(25)20-13-19(11-17(26)27)9-3-2-4-10-19/h5-8H,2-4,9-13H2,1H3,(H,20,25)(H,26,27).
What are the key properties of 2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid?
2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid has a molecular weight of 387.44 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 86207484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).