2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid

C14H17N5O2 — CID 64700964

IUPAC2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Nc2nnnn2-c2ccccc2)CCCC1
InChIInChI=1S/C14H17N5O2/c20-12(21)10-14(8-4-5-9-14)15-13-16-17-18-19(13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,20,21)(H,15,16,18)
InChIKeyJBVOSYPTHPBHMN-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.86
Rot. Bonds5

About 2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid

2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid (PubChem CID 64700964) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid
PubChem CID64700964
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Nc2nnnn2-c2ccccc2)CCCC1
InChIInChI=1S/C14H17N5O2/c20-12(21)10-14(8-4-5-9-14)15-13-16-17-18-19(13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,20,21)(H,15,16,18)
InChIKeyJBVOSYPTHPBHMN-UHFFFAOYSA-N
XLogP1.86
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
CID 115309042
N-[(1-methylcyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 103736960
N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine
CID 17418964
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol
CID 107849570
2-[1-[[(1-phenyltetrazol-5-yl)amino]methyl]cyclobutyl]ethanol
CID 133376008
2-[3-(1-phenyltetrazol-5-yl)sulfanylazetidin-3-yl]acetic acid
CID 107141025
2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid
CID 104729585
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
4-[(1-phenyltetrazol-5-yl)amino]benzoic acid
CID 43172025
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
CID 64700995
[2-[(1-phenyltetrazol-5-yl)amino]cyclohexyl]methanol
CID 106362209

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid (CID 64700964) is 2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid is O=C(O)CC1(Nc2nnnn2-c2ccccc2)CCCC1.
What is the InChIKey of 2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid?
The InChIKey is JBVOSYPTHPBHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-12(21)10-14(8-4-5-9-14)15-13-16-17-18-19(13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,20,21)(H,15,16,18).
What are the key properties of 2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid?
2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64700964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).