6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid

C9H17N5O2 — CID 107061712

IUPAC6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid
SMILESCn1nnc(CC(CCCCN)C(=O)O)n1
InChIInChI=1S/C9H17N5O2/c1-14-12-8(11-13-14)6-7(9(15)16)4-2-3-5-10/h7H,2-6,10H2,1H3,(H,15,16)
InChIKeyLWGRWGOQMAWFTO-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.42
Rot. Bonds7

About 6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid

6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid (PubChem CID 107061712) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid
PubChem CID107061712
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid
SMILESCn1nnc(CC(CCCCN)C(=O)O)n1
InChIInChI=1S/C9H17N5O2/c1-14-12-8(11-13-14)6-7(9(15)16)4-2-3-5-10/h7H,2-6,10H2,1H3,(H,15,16)
InChIKeyLWGRWGOQMAWFTO-UHFFFAOYSA-N
XLogP-0.42
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid?
The IUPAC name of 6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid (CID 107061712) is 6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid.
What is the SMILES notation for 6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid?
The canonical SMILES for 6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid is Cn1nnc(CC(CCCCN)C(=O)O)n1.
What is the InChIKey of 6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid?
The InChIKey is LWGRWGOQMAWFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-14-12-8(11-13-14)6-7(9(15)16)4-2-3-5-10/h7H,2-6,10H2,1H3,(H,15,16).
What are the key properties of 6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid?
6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid has a molecular weight of 227.27 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid is sourced from PubChem (CID 107061712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).