2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid

C14H17N5O3 — CID 119200437

IUPAC2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
SMILESCN(C(=O)Cn1nnc(-c2ccccc2)n1)C(C)(C)C(=O)O
InChIInChI=1S/C14H17N5O3/c1-14(2,13(21)22)18(3)11(20)9-19-16-12(15-17-19)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,21,22)
InChIKeyQUTKSEDRPILVIY-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.66
Rot. Bonds5

About 2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid

2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid (PubChem CID 119200437) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
PubChem CID119200437
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
SMILESCN(C(=O)Cn1nnc(-c2ccccc2)n1)C(C)(C)C(=O)O
InChIInChI=1S/C14H17N5O3/c1-14(2,13(21)22)18(3)11(20)9-19-16-12(15-17-19)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,21,22)
InChIKeyQUTKSEDRPILVIY-UHFFFAOYSA-N
XLogP0.66
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
2-(5-phenyltetrazol-2-yl)acetic acid
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4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119173060
N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 177372539
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
N-[(4-bromophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508173
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 110003521
N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 46981616
N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 26571918
N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 167242614
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid (CID 119200437) is 2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid is CN(C(=O)Cn1nnc(-c2ccccc2)n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid?
The InChIKey is QUTKSEDRPILVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-14(2,13(21)22)18(3)11(20)9-19-16-12(15-17-19)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,21,22).
What are the key properties of 2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid has a molecular weight of 303.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119200437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).