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

C7H13N5O2 — CID 107061706

IUPAC4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
SMILESCn1nnc(CC(CCN)C(=O)O)n1
InChIInChI=1S/C7H13N5O2/c1-12-10-6(9-11-12)4-5(2-3-8)7(13)14/h5H,2-4,8H2,1H3,(H,13,14)
InChIKeyKKPGGNZQZUURAI-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.20
Rot. Bonds5

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

4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid (PubChem CID 107061706) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
PubChem CID107061706
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
SMILESCn1nnc(CC(CCN)C(=O)O)n1
InChIInChI=1S/C7H13N5O2/c1-12-10-6(9-11-12)4-5(2-3-8)7(13)14/h5H,2-4,8H2,1H3,(H,13,14)
InChIKeyKKPGGNZQZUURAI-UHFFFAOYSA-N
XLogP-1.20
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
The IUPAC name of 4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid (CID 107061706) is 4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid.
What is the SMILES notation for 4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
The canonical SMILES for 4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid is Cn1nnc(CC(CCN)C(=O)O)n1.
What is the InChIKey of 4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
The InChIKey is KKPGGNZQZUURAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-12-10-6(9-11-12)4-5(2-3-8)7(13)14/h5H,2-4,8H2,1H3,(H,13,14).
What are the key properties of 4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid has a molecular weight of 199.21 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid is sourced from PubChem (CID 107061706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).