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

C9H15N5O4 — CID 66952021

IUPAC[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)[C@H](NC(=O)O)c1nnc(NC(N)=O)o1
InChIInChI=1S/C9H15N5O4/c1-9(2,3)4(11-8(16)17)5-13-14-7(18-5)12-6(10)15/h4,11H,1-3H3,(H,16,17)(H3,10,12,14,15)/t4-/m1/s1
InChIKeySUGZVVDUKBVYNR-SCSAIBSYSA-N
MW257.25 g/mol
LogP0.92
Rot. Bonds3

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

[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid (PubChem CID 66952021) has the molecular formula C9H15N5O4 and a molecular weight of 257.25 g/mol. Its IUPAC name is [(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
PubChem CID66952021
Molecular FormulaC9H15N5O4
Molecular Weight257.25 g/mol
Exact Mass257.11
IUPAC Name[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)[C@H](NC(=O)O)c1nnc(NC(N)=O)o1
InChIInChI=1S/C9H15N5O4/c1-9(2,3)4(11-8(16)17)5-13-14-7(18-5)12-6(10)15/h4,11H,1-3H3,(H,16,17)(H3,10,12,14,15)/t4-/m1/s1
InChIKeySUGZVVDUKBVYNR-SCSAIBSYSA-N
XLogP0.92
TPSA143.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of [(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid (CID 66952021) is [(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for [(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for [(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid is CC(C)(C)[C@H](NC(=O)O)c1nnc(NC(N)=O)o1.
What is the InChIKey of [(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?
The InChIKey is SUGZVVDUKBVYNR-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H15N5O4/c1-9(2,3)4(11-8(16)17)5-13-14-7(18-5)12-6(10)15/h4,11H,1-3H3,(H,16,17)(H3,10,12,14,15)/t4-/m1/s1.
What are the key properties of [(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?
[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid has a molecular weight of 257.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 66952021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).