[3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid

C7H13N5O2 — CID 19938437

IUPAC[3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid
SMILESCC(C)CC(NC(=O)O)c1nn[nH]n1
InChIInChI=1S/C7H13N5O2/c1-4(2)3-5(8-7(13)14)6-9-11-12-10-6/h4-5,8H,3H2,1-2H3,(H,13,14)(H,9,10,11,12)
InChIKeyIGWMSSHJJQRKOO-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.55
Rot. Bonds4

About [3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid

[3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid (PubChem CID 19938437) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is [3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid.

Molecular Properties

Compound Name[3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid
PubChem CID19938437
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name[3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid
SMILESCC(C)CC(NC(=O)O)c1nn[nH]n1
InChIInChI=1S/C7H13N5O2/c1-4(2)3-5(8-7(13)14)6-9-11-12-10-6/h4-5,8H,3H2,1-2H3,(H,13,14)(H,9,10,11,12)
InChIKeyIGWMSSHJJQRKOO-UHFFFAOYSA-N
XLogP0.55
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid?
The IUPAC name of [3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid (CID 19938437) is [3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid.
What is the SMILES notation for [3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid?
The canonical SMILES for [3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid is CC(C)CC(NC(=O)O)c1nn[nH]n1.
What is the InChIKey of [3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid?
The InChIKey is IGWMSSHJJQRKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-4(2)3-5(8-7(13)14)6-9-11-12-10-6/h4-5,8H,3H2,1-2H3,(H,13,14)(H,9,10,11,12).
What are the key properties of [3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid?
[3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid has a molecular weight of 199.21 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid is sourced from PubChem (CID 19938437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).