2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid

C9H15N5O2 — CID 107044977

IUPAC2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
SMILESCn1nnc(CN2CCC(CC(=O)O)C2)n1
InChIInChI=1S/C9H15N5O2/c1-13-11-8(10-12-13)6-14-3-2-7(5-14)4-9(15)16/h7H,2-6H2,1H3,(H,15,16)
InChIKeyUBKWIWFAURTOCU-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.49
Rot. Bonds4

About 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid

2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid (PubChem CID 107044977) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
PubChem CID107044977
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
SMILESCn1nnc(CN2CCC(CC(=O)O)C2)n1
InChIInChI=1S/C9H15N5O2/c1-13-11-8(10-12-13)6-14-3-2-7(5-14)4-9(15)16/h7H,2-6H2,1H3,(H,15,16)
InChIKeyUBKWIWFAURTOCU-UHFFFAOYSA-N
XLogP-0.49
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
CID 107054129
2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 107044942
4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine
CID 107054238
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 107044922
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid
CID 102877523
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 66141891
1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043040
2-[1-[(4,5-dibromothiophen-2-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 102845145
1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
CID 107063286
2-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 114058142

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid (CID 107044977) is 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid is Cn1nnc(CN2CCC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is UBKWIWFAURTOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-13-11-8(10-12-13)6-14-3-2-7(5-14)4-9(15)16/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid?
2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 225.25 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 107044977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).