4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid

C11H19N5O2S — CID 63033610

IUPAC4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(CCSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C11H19N5O2S/c1-7(2)12-9(10(17)18)5-6-19-11-13-14-15-16(11)8-3-4-8/h7-9,12H,3-6H2,1-2H3,(H,17,18)
InChIKeyDWRJQHXSYJNRJX-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.94
Rot. Bonds8

About 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid

4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid (PubChem CID 63033610) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid
PubChem CID63033610
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(CCSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C11H19N5O2S/c1-7(2)12-9(10(17)18)5-6-19-11-13-14-15-16(11)8-3-4-8/h7-9,12H,3-6H2,1-2H3,(H,17,18)
InChIKeyDWRJQHXSYJNRJX-UHFFFAOYSA-N
XLogP0.94
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid with MolForge

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Related Compounds

methyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 63033609
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate
CID 63033246
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanoate
CID 63035201
methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate
CID 63035729
N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386414
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanenitrile
CID 63053368
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64648734
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylhexan-2-amine
CID 64649345
(2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 61145200
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64648928

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid (CID 63033610) is 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid is CC(C)NC(CCSc1nnnn1C1CC1)C(=O)O.
What is the InChIKey of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid?
The InChIKey is DWRJQHXSYJNRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-7(2)12-9(10(17)18)5-6-19-11-13-14-15-16(11)8-3-4-8/h7-9,12H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid?
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid has a molecular weight of 285.37 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 63033610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).