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

C14H17N5O3 — CID 119173060

IUPAC4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H17N5O3/c1-18(9-5-8-13(21)22)12(20)10-19-16-14(15-17-19)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,21,22)
InChIKeyLDQSYPYBRFKCRZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.66
Rot. Bonds7

About 4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid

4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid (PubChem CID 119173060) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
PubChem CID119173060
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H17N5O3/c1-18(9-5-8-13(21)22)12(20)10-19-16-14(15-17-19)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,21,22)
InChIKeyLDQSYPYBRFKCRZ-UHFFFAOYSA-N
XLogP0.66
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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

4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 43172401
N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 46981616
N-[(4-bromophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508173
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
CID 119200437
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 110003521
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 177372539
N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107202006
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9485258
2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid (CID 119173060) is 4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid?
The InChIKey is LDQSYPYBRFKCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-18(9-5-8-13(21)22)12(20)10-19-16-14(15-17-19)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,21,22).
What are the key properties of 4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid?
4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid has a molecular weight of 303.32 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 119173060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).