(2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid

C11H21N5O2S — CID 106443345

IUPAC(2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid
SMILESCCCCn1nnnc1CSC(C)(C)[C@@H](N)C(=O)O
InChIInChI=1S/C11H21N5O2S/c1-4-5-6-16-8(13-14-15-16)7-19-11(2,3)9(12)10(17)18/h9H,4-7,12H2,1-3H3,(H,17,18)/t9-/m0/s1
InChIKeyGLOVGTZKNKGQDA-VIFPVBQESA-N
MW287.39 g/mol
LogP0.90
Rot. Bonds8

About (2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid

(2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid (PubChem CID 106443345) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is (2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid
PubChem CID106443345
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name(2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid
SMILESCCCCn1nnnc1CSC(C)(C)[C@@H](N)C(=O)O
InChIInChI=1S/C11H21N5O2S/c1-4-5-6-16-8(13-14-15-16)7-19-11(2,3)9(12)10(17)18/h9H,4-7,12H2,1-3H3,(H,17,18)/t9-/m0/s1
InChIKeyGLOVGTZKNKGQDA-VIFPVBQESA-N
XLogP0.90
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-butyltetrazol-5-yl)methylsulfanyl]butanoic acid
CID 66137611
1-[(1-butyltetrazol-5-yl)methylsulfanyl]butan-2-amine
CID 66231533
2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43417030
2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid
CID 62637803
(2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 107774522
2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid
CID 43631568
2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441929
2-(1-nonyltetrazol-5-yl)acetic acid
CID 162532459
(2S)-2-amino-3-[(1-ethylimidazol-2-yl)methylsulfanyl]-3-methylbutanoic acid
CID 106443279
2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid
CID 79809474
(2S)-2-amino-3-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylsulfanyl]butanoic acid
CID 106443914
1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
CID 67260727

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid (CID 106443345) is (2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid is CCCCn1nnnc1CSC(C)(C)[C@@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid?
The InChIKey is GLOVGTZKNKGQDA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-4-5-6-16-8(13-14-15-16)7-19-11(2,3)9(12)10(17)18/h9H,4-7,12H2,1-3H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid?
(2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid has a molecular weight of 287.39 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid is sourced from PubChem (CID 106443345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).