(2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid

C6H11N5O2S — CID 107043232

IUPAC(2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid
SMILESCn1nnc(CSC[C@H](N)C(=O)O)n1
InChIInChI=1S/C6H11N5O2S/c1-11-9-5(8-10-11)3-14-2-4(7)6(12)13/h4H,2-3,7H2,1H3,(H,12,13)/t4-/m0/s1
InChIKeyIUFPGMMGVOZEKV-BYPYZUCNSA-N
MW217.25 g/mol
LogP-1.14
Rot. Bonds5

About (2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid

(2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid (PubChem CID 107043232) has the molecular formula C6H11N5O2S and a molecular weight of 217.25 g/mol. Its IUPAC name is (2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid
PubChem CID107043232
Molecular FormulaC6H11N5O2S
Molecular Weight217.25 g/mol
Exact Mass217.06
IUPAC Name(2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid
SMILESCn1nnc(CSC[C@H](N)C(=O)O)n1
InChIInChI=1S/C6H11N5O2S/c1-11-9-5(8-10-11)3-14-2-4(7)6(12)13/h4H,2-3,7H2,1H3,(H,12,13)/t4-/m0/s1
InChIKeyIUFPGMMGVOZEKV-BYPYZUCNSA-N
XLogP-1.14
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-methyltetrazol-5-yl)methylsulfanyl]acetic acid
CID 107040999
3-[(2-methyltetrazol-5-yl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 107043239
(2S)-2-amino-3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylsulfanyl]propanoic acid
CID 107773689
3-(2-methyltetrazol-5-yl)propanoic acid
CID 22069179
4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061833
2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid
CID 107051987
2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
CID 107067051
3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one
CID 107061843
(2S)-2-amino-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic acid
CID 107773128
(2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid
CID 61141696
3-amino-5-methylsulfonyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061779
(2S)-2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]propanoic acid
CID 107773596

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid (CID 107043232) is (2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid is Cn1nnc(CSC[C@H](N)C(=O)O)n1.
What is the InChIKey of (2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid?
The InChIKey is IUFPGMMGVOZEKV-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11N5O2S/c1-11-9-5(8-10-11)3-14-2-4(7)6(12)13/h4H,2-3,7H2,1H3,(H,12,13)/t4-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid?
(2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid has a molecular weight of 217.25 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 107043232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).