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

C12H22N4O3 — CID 66952238

IUPAC[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid
SMILESCC(C)(C)[C@@H](c1nnc(N)o1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H22N4O3/c1-11(2,3)7(8-14-15-9(13)19-8)16(10(17)18)12(4,5)6/h7H,1-6H3,(H2,13,15)(H,17,18)/t7-/m1/s1
InChIKeyBPRVWTPKCZZCKZ-SSDOTTSWSA-N
MW270.33 g/mol
LogP2.52
Rot. Bonds2

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

[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid (PubChem CID 66952238) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid
PubChem CID66952238
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid
SMILESCC(C)(C)[C@@H](c1nnc(N)o1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H22N4O3/c1-11(2,3)7(8-14-15-9(13)19-8)16(10(17)18)12(4,5)6/h7H,1-6H3,(H2,13,15)(H,17,18)/t7-/m1/s1
InChIKeyBPRVWTPKCZZCKZ-SSDOTTSWSA-N
XLogP2.52
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
CID 139227790
tert-butyl [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
CID 57463456
tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 66951146
[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 66952021
tert-butyl-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 66952381
tert-butyl-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid
CID 66952601
[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid
CID 67532202
tert-butyl N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
CID 76547850
[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid
CID 134249367
[1-(5-Amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamic acid
CID 134249368
[(1S)-2-methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid
CID 134249402
[2-Methyl-1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamic acid
CID 134249403

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid?
The IUPAC name of [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid (CID 66952238) is [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid.
What is the SMILES notation for [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid?
The canonical SMILES for [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid is CC(C)(C)[C@@H](c1nnc(N)o1)N(C(=O)O)C(C)(C)C.
What is the InChIKey of [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid?
The InChIKey is BPRVWTPKCZZCKZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-11(2,3)7(8-14-15-9(13)19-8)16(10(17)18)12(4,5)6/h7H,1-6H3,(H2,13,15)(H,17,18)/t7-/m1/s1.
What are the key properties of [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid?
[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid has a molecular weight of 270.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 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]-tert-butylcarbamic acid is sourced from PubChem (CID 66952238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).