2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid

C11H18N4O3 — CID 66046978

IUPAC2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
SMILESCC(Cn1nnnc1CCC1CCCO1)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-8(11(16)17)7-15-10(12-13-14-15)5-4-9-3-2-6-18-9/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyMXKFJZXNFUVXIL-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.51
Rot. Bonds6

About 2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid

2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid (PubChem CID 66046978) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
PubChem CID66046978
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
SMILESCC(Cn1nnnc1CCC1CCCO1)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-8(11(16)17)7-15-10(12-13-14-15)5-4-9-3-2-6-18-9/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyMXKFJZXNFUVXIL-UHFFFAOYSA-N
XLogP0.51
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 82002630
3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid
CID 103160509
2-methyl-3-[5-(propan-2-yloxymethyl)tetrazol-1-yl]propanoic acid
CID 112605856
2-methyl-3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid
CID 103213487
2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
CID 65166400
ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate
CID 79318250
N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine
CID 62736301
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 51259176
4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
CID 65162425
2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid
CID 65161065
5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369
1-(oxolan-2-ylmethyl)-5-(3-phenylpropyl)tetrazole
CID 71860522

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid (CID 66046978) is 2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid is CC(Cn1nnnc1CCC1CCCO1)C(=O)O.
What is the InChIKey of 2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The InChIKey is MXKFJZXNFUVXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(11(16)17)7-15-10(12-13-14-15)5-4-9-3-2-6-18-9/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66046978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).