2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide

C8H15N7O2 — CID 113270816

IUPAC2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
SMILESCCC(C)(C(=O)NCc1nn[nH]n1)C(N)=NO
InChIInChI=1S/C8H15N7O2/c1-3-8(2,6(9)13-17)7(16)10-4-5-11-14-15-12-5/h17H,3-4H2,1-2H3,(H2,9,13)(H,10,16)(H,11,12,14,15)
InChIKeyZLPLPINHVFUGQM-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.02
Rot. Bonds5

About 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide

2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide (PubChem CID 113270816) has the molecular formula C8H15N7O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
PubChem CID113270816
Molecular FormulaC8H15N7O2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
SMILESCCC(C)(C(=O)NCc1nn[nH]n1)C(N)=NO
InChIInChI=1S/C8H15N7O2/c1-3-8(2,6(9)13-17)7(16)10-4-5-11-14-15-12-5/h17H,3-4H2,1-2H3,(H2,9,13)(H,10,16)(H,11,12,14,15)
InChIKeyZLPLPINHVFUGQM-UHFFFAOYSA-N
XLogP-1.02
TPSA142.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 61854737
2,3,3-trimethyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 70969460
3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide
CID 110719977
3,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide
CID 60911253
2,2-dimethyl-N-[3-oxo-3-[1-(2H-tetrazol-5-yl)ethylamino]propyl]propanamide
CID 61853597
2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide
CID 61854818
(2S)-2-amino-3,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide
CID 61854842
2-(aminomethyl)-2-ethyl-N-[1-(2H-tetrazol-5-yl)ethyl]butanamide
CID 61855015
3-amino-2,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 61855410
2-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 61855412
2-(aminomethyl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 61855605
2,2-dimethyl-N-[4-oxo-4-(2H-tetrazol-5-ylmethylamino)butyl]propanamide
CID 61855737

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide (CID 113270816) is 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide is CCC(C)(C(=O)NCc1nn[nH]n1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide?
The InChIKey is ZLPLPINHVFUGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7O2/c1-3-8(2,6(9)13-17)7(16)10-4-5-11-14-15-12-5/h17H,3-4H2,1-2H3,(H2,9,13)(H,10,16)(H,11,12,14,15).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide?
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide has a molecular weight of 241.25 g/mol, XLogP of -1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide is sourced from PubChem (CID 113270816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).