2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid

C9H17N5O2 — CID 107067051

IUPAC2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
SMILESCC(C)C(CN)(Cc1nnn(C)n1)C(=O)O
InChIInChI=1S/C9H17N5O2/c1-6(2)9(5-10,8(15)16)4-7-11-13-14(3)12-7/h6H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyZJBFDKPZPHLUFQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.56
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid

2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid (PubChem CID 107067051) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
PubChem CID107067051
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
SMILESCC(C)C(CN)(Cc1nnn(C)n1)C(=O)O
InChIInChI=1S/C9H17N5O2/c1-6(2)9(5-10,8(15)16)4-7-11-13-14(3)12-7/h6H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyZJBFDKPZPHLUFQ-UHFFFAOYSA-N
XLogP-0.56
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Ethyltetrazol-5-yl)-2,2-dimethylpentanoic acid
CID 124141007
4-[5-(3,3-Dimethylbutyl)tetrazol-2-yl]-3,3-dimethylbutanoic acid
CID 137475173
3-Methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
CID 107045105
2-Methyl-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid
CID 107045117
2-Ethyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
CID 107045123
2-Methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
CID 107045127
3,3-Dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
CID 107045179
2-Cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045181
2,3-Dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
CID 107045183
4-Amino-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
CID 107061706
5-Amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid
CID 107061709
6-Amino-2-[(2-methyltetrazol-5-yl)methyl]hexanoic acid
CID 107061712

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
The IUPAC name of 2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid (CID 107067051) is 2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid is CC(C)C(CN)(Cc1nnn(C)n1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
The InChIKey is ZJBFDKPZPHLUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-6(2)9(5-10,8(15)16)4-7-11-13-14(3)12-7/h6H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid?
2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid has a molecular weight of 227.27 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid is sourced from PubChem (CID 107067051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).