3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid

C10H17N5O2 — CID 82002827

IUPAC3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid
SMILESCN(C)Cc1nnnn1C(CC(=O)O)C1CC1
InChIInChI=1S/C10H17N5O2/c1-14(2)6-9-11-12-13-15(9)8(5-10(16)17)7-3-4-7/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyCWOOQRNSJPQKCD-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.16
Rot. Bonds6

About 3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid

3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid (PubChem CID 82002827) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid
PubChem CID82002827
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid
SMILESCN(C)Cc1nnnn1C(CC(=O)O)C1CC1
InChIInChI=1S/C10H17N5O2/c1-14(2)6-9-11-12-13-15(9)8(5-10(16)17)7-3-4-7/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyCWOOQRNSJPQKCD-UHFFFAOYSA-N
XLogP0.16
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid
CID 82003198
3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid
CID 82003607
3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 82002630
3-(5-cyclohexyltetrazol-1-yl)-3-cyclopropylpropanoic acid
CID 82002908
3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid
CID 82002253
3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid
CID 104643324
3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid
CID 107967114
3-[5-(cycloheptylmethyl)tetrazol-1-yl]hexanoic acid
CID 114459357
4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81071397
3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid
CID 103167363
3-(5-nonyltetrazol-1-yl)butanoic acid
CID 66043035
2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid
CID 66041782

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid (CID 82002827) is 3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid is CN(C)Cc1nnnn1C(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid?
The InChIKey is CWOOQRNSJPQKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14(2)6-9-11-12-13-15(9)8(5-10(16)17)7-3-4-7/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid?
3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid has a molecular weight of 239.28 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 82002827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).