[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid

C8H14N4O3 — CID 67532202

IUPAC[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)[C@H](NC(=O)O)c1nnc(N)o1
InChIInChI=1S/C8H14N4O3/c1-8(2,3)4(10-7(13)14)5-11-12-6(9)15-5/h4,10H,1-3H3,(H2,9,12)(H,13,14)/t4-/m1/s1
InChIKeyJIEWGOJEJWCYRZ-SCSAIBSYSA-N
MW214.22 g/mol
LogP1.01
Rot. Bonds2

About [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid

[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid (PubChem CID 67532202) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid
PubChem CID67532202
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)[C@H](NC(=O)O)c1nnc(N)o1
InChIInChI=1S/C8H14N4O3/c1-8(2,3)4(10-7(13)14)5-11-12-6(9)15-5/h4,10H,1-3H3,(H2,9,12)(H,13,14)/t4-/m1/s1
InChIKeyJIEWGOJEJWCYRZ-SCSAIBSYSA-N
XLogP1.01
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid (CID 67532202) is [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid is CC(C)(C)[C@H](NC(=O)O)c1nnc(N)o1.
What is the InChIKey of [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid?
The InChIKey is JIEWGOJEJWCYRZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-8(2,3)4(10-7(13)14)5-11-12-6(9)15-5/h4,10H,1-3H3,(H2,9,12)(H,13,14)/t4-/m1/s1.
What are the key properties of [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid?
[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid has a molecular weight of 214.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 67532202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).