[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid

C7H13N5O2 — CID 67532473

IUPAC[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
SMILESCC(C)(C)[C@H](NC(=O)O)c1nn[nH]n1
InChIInChI=1S/C7H13N5O2/c1-7(2,3)4(8-6(13)14)5-9-11-12-10-5/h4,8H,1-3H3,(H,13,14)(H,9,10,11,12)/t4-/m1/s1
InChIKeyIMJPOSPVTGYKDJ-SCSAIBSYSA-N
MW199.21 g/mol
LogP0.55
Rot. Bonds2

About [(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid

[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid (PubChem CID 67532473) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is [(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
PubChem CID67532473
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
SMILESCC(C)(C)[C@H](NC(=O)O)c1nn[nH]n1
InChIInChI=1S/C7H13N5O2/c1-7(2,3)4(8-6(13)14)5-9-11-12-10-5/h4,8H,1-3H3,(H,13,14)(H,9,10,11,12)/t4-/m1/s1
InChIKeyIMJPOSPVTGYKDJ-SCSAIBSYSA-N
XLogP0.55
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
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 [(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid?
The IUPAC name of [(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid (CID 67532473) is [(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid.
What is the SMILES notation for [(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid?
The canonical SMILES for [(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid is CC(C)(C)[C@H](NC(=O)O)c1nn[nH]n1.
What is the InChIKey of [(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid?
The InChIKey is IMJPOSPVTGYKDJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-7(2,3)4(8-6(13)14)5-9-11-12-10-5/h4,8H,1-3H3,(H,13,14)(H,9,10,11,12)/t4-/m1/s1.
What are the key properties of [(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid?
[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid has a molecular weight of 199.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid is sourced from PubChem (CID 67532473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).