[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid

C10H16N4O5 — CID 69483248

IUPAC[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid
SMILESCC(C)(C)OC(=O)NC[C@H](NC(=O)O)c1ncon1
InChIInChI=1S/C10H16N4O5/c1-10(2,3)19-9(17)11-4-6(13-8(15)16)7-12-5-18-14-7/h5-6,13H,4H2,1-3H3,(H,11,17)(H,15,16)/t6-/m0/s1
InChIKeyIMLRGRTYPDSUSK-LURJTMIESA-N
MW272.26 g/mol
LogP0.90
Rot. Bonds4

About [(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid

[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid (PubChem CID 69483248) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is [(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid
PubChem CID69483248
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Name[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid
SMILESCC(C)(C)OC(=O)NC[C@H](NC(=O)O)c1ncon1
InChIInChI=1S/C10H16N4O5/c1-10(2,3)19-9(17)11-4-6(13-8(15)16)7-12-5-18-14-7/h5-6,13H,4H2,1-3H3,(H,11,17)(H,15,16)/t6-/m0/s1
InChIKeyIMLRGRTYPDSUSK-LURJTMIESA-N
XLogP0.90
TPSA126.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid?
The IUPAC name of [(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid (CID 69483248) is [(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid.
What is the SMILES notation for [(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid?
The canonical SMILES for [(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid is CC(C)(C)OC(=O)NC[C@H](NC(=O)O)c1ncon1.
What is the InChIKey of [(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid?
The InChIKey is IMLRGRTYPDSUSK-LURJTMIESA-N. The full InChI is InChI=1S/C10H16N4O5/c1-10(2,3)19-9(17)11-4-6(13-8(15)16)7-12-5-18-14-7/h5-6,13H,4H2,1-3H3,(H,11,17)(H,15,16)/t6-/m0/s1.
What are the key properties of [(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid?
[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid has a molecular weight of 272.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamic acid is sourced from PubChem (CID 69483248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).