(2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid

C10H17N5O3S — CID 107774522

IUPAC(2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid
SMILESCCCn1nnnc1CSC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C10H17N5O3S/c1-3-4-15-9(12-13-14-15)6-19-5-8(10(17)18)11-7(2)16/h8H,3-6H2,1-2H3,(H,11,16)(H,17,18)/t8-/m0/s1
InChIKeyHPOAYOSVRWSAIL-QMMMGPOBSA-N
MW287.35 g/mol
LogP-0.09
Rot. Bonds8

About (2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid

(2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid (PubChem CID 107774522) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is (2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid
PubChem CID107774522
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name(2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid
SMILESCCCn1nnnc1CSC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C10H17N5O3S/c1-3-4-15-9(12-13-14-15)6-19-5-8(10(17)18)11-7(2)16/h8H,3-6H2,1-2H3,(H,11,16)(H,17,18)/t8-/m0/s1
InChIKeyHPOAYOSVRWSAIL-QMMMGPOBSA-N
XLogP-0.09
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-acetamido-3-propylsulfanylpropanoic acid
CID 71312782
(2R)-2-acetamido-3-[(1-methyltriazol-4-yl)methylsulfanyl]propanoic acid
CID 107774544
(2R)-2-acetamido-3-butylsulfanylpropanoic acid
CID 12018986
(2R)-2-acetamido-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylsulfanyl]propanoic acid
CID 107774388
sodium 2-acetamido-3-ethylsulfanylpropanoic acid
CID 170452671
(2R)-2-acetamido-3-tetradecylsulfanylpropanoic acid
CID 12019095
(2R)-2-acetamido-3-nonylsulfanylpropanoic acid
CID 12019090
3-[(1-butyltetrazol-5-yl)methylsulfanyl]butanoic acid
CID 66137611
2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid
CID 79791754
2-acetamido-3-(2-propoxyethylsulfanyl)propanoic acid
CID 106453126
2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid
CID 43619662
(2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid
CID 106443345

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid (CID 107774522) is (2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid is CCCn1nnnc1CSC[C@H](NC(C)=O)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid?
The InChIKey is HPOAYOSVRWSAIL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-3-4-15-9(12-13-14-15)6-19-5-8(10(17)18)11-7(2)16/h8H,3-6H2,1-2H3,(H,11,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid?
(2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid has a molecular weight of 287.35 g/mol, XLogP of -0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 107774522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).