2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid

C10H15N5O3 — CID 55105139

IUPAC2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C10H15N5O3/c16-9(6-15-7-11-12-13-15)14-3-1-2-8(5-14)4-10(17)18/h7-8H,1-6H2,(H,17,18)
InChIKeyMYSSYKRTSGRGFJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.61
Rot. Bonds4

About 2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid

2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid (PubChem CID 55105139) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
PubChem CID55105139
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C10H15N5O3/c16-9(6-15-7-11-12-13-15)14-3-1-2-8(5-14)4-10(17)18/h7-8H,1-6H2,(H,17,18)
InChIKeyMYSSYKRTSGRGFJ-UHFFFAOYSA-N
XLogP-0.61
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94182054
ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
2-[1-[2-(3-nitropyrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 62690946
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 31005006
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 45211610
N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 72895304
1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 70729161
1-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(tetrazol-1-yl)ethanone
CID 56878819
1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride
CID 119260834
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid (CID 55105139) is 2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)Cn2cnnn2)C1.
What is the InChIKey of 2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid?
The InChIKey is MYSSYKRTSGRGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c16-9(6-15-7-11-12-13-15)14-3-1-2-8(5-14)4-10(17)18/h7-8H,1-6H2,(H,17,18).
What are the key properties of 2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid?
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 55105139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).