3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid

C16H15ClN6O3 — CID 123242604

IUPAC3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
SMILESNC(CC(=O)O)Cn1nnc(-c2ccc(Oc3ccc(Cl)cn3)cc2)n1
InChIInChI=1S/C16H15ClN6O3/c17-11-3-6-14(19-8-11)26-13-4-1-10(2-5-13)16-20-22-23(21-16)9-12(18)7-15(24)25/h1-6,8,12H,7,9,18H2,(H,24,25)
InChIKeySGMMCFXAIWSCKS-UHFFFAOYSA-N
MW374.79 g/mol
LogP1.98
Rot. Bonds7

About 3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid

3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid (PubChem CID 123242604) has the molecular formula C16H15ClN6O3 and a molecular weight of 374.79 g/mol. Its IUPAC name is 3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid.

Molecular Properties

Compound Name3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
PubChem CID123242604
Molecular FormulaC16H15ClN6O3
Molecular Weight374.79 g/mol
Exact Mass374.09
IUPAC Name3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
SMILESNC(CC(=O)O)Cn1nnc(-c2ccc(Oc3ccc(Cl)cn3)cc2)n1
InChIInChI=1S/C16H15ClN6O3/c17-11-3-6-14(19-8-11)26-13-4-1-10(2-5-13)16-20-22-23(21-16)9-12(18)7-15(24)25/h1-6,8,12H,7,9,18H2,(H,24,25)
InChIKeySGMMCFXAIWSCKS-UHFFFAOYSA-N
XLogP1.98
TPSA129.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-4-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
CID 159115885
3-amino-4-[5-[3-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 123667587
(2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol
CID 166021352
3-amino-4-[5-[2-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid;hydrochloride
CID 175585537
(2S)-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]-2-methylpropanoic acid
CID 167651898
3-amino-4-[5-[3-fluoro-4-(5-fluoropyrimidin-2-yl)oxyphenyl]tetrazol-2-yl]butanoic acid;hydrochloride
CID 175585708
3-amino-4-[5-(2-ethoxyphenyl)tetrazol-2-yl]butanoic acid;bicyclo[2.2.0]hexa-1,3,5-triene
CID 175163181
5-chloro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine
CID 118191569
3-amino-4-[5-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 175585850
tert-butyl N-[(2S)-1-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]-3-hydroxypropan-2-yl]carbamate
CID 166021308
(2S)-2-[[6-acetyl-2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyrimidin-4-yl]amino]propanamide
CID 130262477
(3R)-3-amino-4-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]butanoic acid
CID 131989109

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid?
The IUPAC name of 3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid (CID 123242604) is 3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid.
What is the SMILES notation for 3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid?
The canonical SMILES for 3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid is NC(CC(=O)O)Cn1nnc(-c2ccc(Oc3ccc(Cl)cn3)cc2)n1.
What is the InChIKey of 3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid?
The InChIKey is SGMMCFXAIWSCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O3/c17-11-3-6-14(19-8-11)26-13-4-1-10(2-5-13)16-20-22-23(21-16)9-12(18)7-15(24)25/h1-6,8,12H,7,9,18H2,(H,24,25).
What are the key properties of 3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid?
3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid has a molecular weight of 374.79 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid is sourced from PubChem (CID 123242604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).