2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid

C13H22N6O2 — CID 106813786

IUPAC2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(Cc2nnnn2C2CC2)C1
InChIInChI=1S/C13H22N6O2/c20-13(21)7-14-6-10-2-1-5-18(8-10)9-12-15-16-17-19(12)11-3-4-11/h10-11,14H,1-9H2,(H,20,21)
InChIKeyYAMMQYUEXHHPHO-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.11
Rot. Bonds7

About 2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid

2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid (PubChem CID 106813786) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid
PubChem CID106813786
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(Cc2nnnn2C2CC2)C1
InChIInChI=1S/C13H22N6O2/c20-13(21)7-14-6-10-2-1-5-18(8-10)9-12-15-16-17-19(12)11-3-4-11/h10-11,14H,1-9H2,(H,20,21)
InChIKeyYAMMQYUEXHHPHO-UHFFFAOYSA-N
XLogP-0.11
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid with MolForge

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Related Compounds

3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid
CID 81048225
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
N-(2-aminoethyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 63252804
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 37268796
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 63312298
2-[[1-[(3-bromothiophen-2-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813867
2-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813854
1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine
CID 60565467
2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106814013
1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid
CID 62054553
1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490901
(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
CID 94810986

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid (CID 106813786) is 2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid is O=C(O)CNCC1CCCN(Cc2nnnn2C2CC2)C1.
What is the InChIKey of 2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid?
The InChIKey is YAMMQYUEXHHPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c20-13(21)7-14-6-10-2-1-5-18(8-10)9-12-15-16-17-19(12)11-3-4-11/h10-11,14H,1-9H2,(H,20,21).
What are the key properties of 2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid?
2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid has a molecular weight of 294.36 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).