2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid

C16H19N5O4 — CID 120548158

IUPAC2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C16H19N5O4/c22-14(18-15(16(23)24)12-2-1-7-25-9-12)8-11-3-5-13(6-4-11)21-10-17-19-20-21/h3-6,10,12,15H,1-2,7-9H2,(H,18,22)(H,23,24)
InChIKeyNCIOQXSAOCLIEY-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.20
Rot. Bonds6

About 2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid

2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid (PubChem CID 120548158) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
PubChem CID120548158
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C16H19N5O4/c22-14(18-15(16(23)24)12-2-1-7-25-9-12)8-11-3-5-13(6-4-11)21-10-17-19-20-21/h3-6,10,12,15H,1-2,7-9H2,(H,18,22)(H,23,24)
InChIKeyNCIOQXSAOCLIEY-UHFFFAOYSA-N
XLogP0.20
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119591477
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547485
2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548405
2-(oxan-3-yl)-2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 120549078
2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547481
N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide
CID 167935083
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547937
2-[5-(4-methylphenyl)pentanoylamino]-2-(oxan-3-yl)acetic acid
CID 120548583
2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547999
2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid
CID 120547869
N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 94821745

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid (CID 120548158) is 2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid is O=C(Cc1ccc(-n2cnnn2)cc1)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid?
The InChIKey is NCIOQXSAOCLIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c22-14(18-15(16(23)24)12-2-1-7-25-9-12)8-11-3-5-13(6-4-11)21-10-17-19-20-21/h3-6,10,12,15H,1-2,7-9H2,(H,18,22)(H,23,24).
What are the key properties of 2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid?
2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid has a molecular weight of 345.36 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 120548158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).