4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid

C13H23N5O3 — CID 66252684

IUPAC4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCCCN(Cc1nnnn1CCC)C1COCC1C(=O)O
InChIInChI=1S/C13H23N5O3/c1-3-5-17(11-9-21-8-10(11)13(19)20)7-12-14-15-16-18(12)6-4-2/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyKYNPZJMFHIJDIU-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.39
Rot. Bonds8

About 4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid

4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid (PubChem CID 66252684) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid
PubChem CID66252684
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCCCN(Cc1nnnn1CCC)C1COCC1C(=O)O
InChIInChI=1S/C13H23N5O3/c1-3-5-17(11-9-21-8-10(11)13(19)20)7-12-14-15-16-18(12)6-4-2/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyKYNPZJMFHIJDIU-UHFFFAOYSA-N
XLogP0.39
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66252286
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66252296
4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558026
4-[(1-ethylimidazol-2-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66251901
4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253874
4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558024
4-[(2-hydroxyphenyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66253097
4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254024
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66252672
4-[(5-bromofuran-2-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66254018
4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 115982215

Frequently Asked Questions

What is the IUPAC name of 4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid (CID 66252684) is 4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid is CCCN(Cc1nnnn1CCC)C1COCC1C(=O)O.
What is the InChIKey of 4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid?
The InChIKey is KYNPZJMFHIJDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-3-5-17(11-9-21-8-10(11)13(19)20)7-12-14-15-16-18(12)6-4-2/h10-11H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid?
4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).