2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid

C9H16N6O3 — CID 65222804

IUPAC2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCc1nn[nH]n1)C(=O)O
InChIInChI=1S/C9H16N6O3/c1-2-3-6(8(16)17)4-10-9(18)11-5-7-12-14-15-13-7/h6H,2-5H2,1H3,(H,16,17)(H2,10,11,18)(H,12,13,14,15)
InChIKeyCWVZVTUAZXXDJU-UHFFFAOYSA-N
MW256.27 g/mol
LogP-0.50
Rot. Bonds7

About 2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid

2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid (PubChem CID 65222804) has the molecular formula C9H16N6O3 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid
PubChem CID65222804
Molecular FormulaC9H16N6O3
Molecular Weight256.27 g/mol
Exact Mass256.13
IUPAC Name2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCc1nn[nH]n1)C(=O)O
InChIInChI=1S/C9H16N6O3/c1-2-3-6(8(16)17)4-10-9(18)11-5-7-12-14-15-13-7/h6H,2-5H2,1H3,(H,16,17)(H2,10,11,18)(H,12,13,14,15)
InChIKeyCWVZVTUAZXXDJU-UHFFFAOYSA-N
XLogP-0.50
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(2H-tetrazol-5-ylmethylcarbamoylamino)butanoic acid
CID 80541695
3-ethoxy-4-(2H-tetrazol-5-ylmethylcarbamoylamino)butanoic acid
CID 114227175
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 65221570
2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 106382868
2-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 115991254
2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65218028
2-(2H-tetrazol-5-ylmethylamino)butanoic acid
CID 115353295
2-[(hexan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65222200
2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid
CID 65223178
2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 65226837

Frequently Asked Questions

What is the IUPAC name of 2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid (CID 65222804) is 2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid is CCCC(CNC(=O)NCc1nn[nH]n1)C(=O)O.
What is the InChIKey of 2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is CWVZVTUAZXXDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O3/c1-2-3-6(8(16)17)4-10-9(18)11-5-7-12-14-15-13-7/h6H,2-5H2,1H3,(H,16,17)(H2,10,11,18)(H,12,13,14,15).
What are the key properties of 2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid?
2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 256.27 g/mol, XLogP of -0.50, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65222804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).