2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid

C18H19N5O3 — CID 168853047

IUPAC2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid
SMILESCc1ccc(Oc2ccc(-c3nnn(CCC(N)C(=O)O)n3)cc2)cc1
InChIInChI=1S/C18H19N5O3/c1-12-2-6-14(7-3-12)26-15-8-4-13(5-9-15)17-20-22-23(21-17)11-10-16(19)18(24)25/h2-9,16H,10-11,19H2,1H3,(H,24,25)
InChIKeyKYGJDFNRVZCRJX-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.24
Rot. Bonds7

About 2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid

2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid (PubChem CID 168853047) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid
PubChem CID168853047
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid
SMILESCc1ccc(Oc2ccc(-c3nnn(CCC(N)C(=O)O)n3)cc2)cc1
InChIInChI=1S/C18H19N5O3/c1-12-2-6-14(7-3-12)26-15-8-4-13(5-9-15)17-20-22-23(21-17)11-10-16(19)18(24)25/h2-9,16H,10-11,19H2,1H3,(H,24,25)
InChIKeyKYGJDFNRVZCRJX-UHFFFAOYSA-N
XLogP2.24
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-yl acetate
CID 122181372
(2S)-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]-2-methylpropanoic acid
CID 167651898
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
CID 1150139
(2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol
CID 166021352
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825649
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195
N-[(2S)-1-methoxypropan-2-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465632
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
ethyl 3-[5-(4-formylphenyl)tetrazol-2-yl]propanoate
CID 23559158
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825634

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid?
The IUPAC name of 2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid (CID 168853047) is 2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid.
What is the SMILES notation for 2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid?
The canonical SMILES for 2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid is Cc1ccc(Oc2ccc(-c3nnn(CCC(N)C(=O)O)n3)cc2)cc1.
What is the InChIKey of 2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid?
The InChIKey is KYGJDFNRVZCRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-2-6-14(7-3-12)26-15-8-4-13(5-9-15)17-20-22-23(21-17)11-10-16(19)18(24)25/h2-9,16H,10-11,19H2,1H3,(H,24,25).
What are the key properties of 2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid?
2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid has a molecular weight of 353.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid is sourced from PubChem (CID 168853047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).