2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid

C6H9N5O3 — CID 107043216

IUPAC2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid
SMILESCn1nnc(CC(NC=O)C(=O)O)n1
InChIInChI=1S/C6H9N5O3/c1-11-9-5(8-10-11)2-4(6(13)14)7-3-12/h3-4H,2H2,1H3,(H,7,12)(H,13,14)
InChIKeyBTBIQVJUDFSYGK-UHFFFAOYSA-N
MW199.17 g/mol
LogP-2.05
Rot. Bonds5

About 2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid

2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid (PubChem CID 107043216) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid
PubChem CID107043216
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid
SMILESCn1nnc(CC(NC=O)C(=O)O)n1
InChIInChI=1S/C6H9N5O3/c1-11-9-5(8-10-11)2-4(6(13)14)7-3-12/h3-4H,2H2,1H3,(H,7,12)(H,13,14)
InChIKeyBTBIQVJUDFSYGK-UHFFFAOYSA-N
XLogP-2.05
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[(2-methyltetrazol-5-yl)methylsulfonyl]propanoic acid
CID 107043083
1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol
CID 107057608
3-(2-methyltetrazol-5-yl)propanoic acid
CID 22069179
2-[(4-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045075
2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid
CID 107051987
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde
CID 20601525
2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid
CID 107044903
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047966
N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
CID 107044611
2-[(2-methyltetrazol-5-yl)methylsulfanyl]acetic acid
CID 107040999
(2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 107043232

Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid?
The IUPAC name of 2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid (CID 107043216) is 2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid is Cn1nnc(CC(NC=O)C(=O)O)n1.
What is the InChIKey of 2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid?
The InChIKey is BTBIQVJUDFSYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c1-11-9-5(8-10-11)2-4(6(13)14)7-3-12/h3-4H,2H2,1H3,(H,7,12)(H,13,14).
What are the key properties of 2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid?
2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 107043216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).