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

C12H18N4O4 — CID 68892927

IUPAC[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)[C@H](NC(=O)O)c1nnc(NC(=O)C2CC2)o1
InChIInChI=1S/C12H18N4O4/c1-12(2,3)7(13-11(18)19)9-15-16-10(20-9)14-8(17)6-4-5-6/h6-7,13H,4-5H2,1-3H3,(H,18,19)(H,14,16,17)/t7-/m1/s1
InChIKeyXDUMKJWTXJLUOS-SSDOTTSWSA-N
MW282.30 g/mol
LogP1.77
Rot. Bonds4

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

[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid (PubChem CID 68892927) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is [(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
PubChem CID68892927
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)[C@H](NC(=O)O)c1nnc(NC(=O)C2CC2)o1
InChIInChI=1S/C12H18N4O4/c1-12(2,3)7(13-11(18)19)9-15-16-10(20-9)14-8(17)6-4-5-6/h6-7,13H,4-5H2,1-3H3,(H,18,19)(H,14,16,17)/t7-/m1/s1
InChIKeyXDUMKJWTXJLUOS-SSDOTTSWSA-N
XLogP1.77
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of [(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid (CID 68892927) is [(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for [(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for [(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid is CC(C)(C)[C@H](NC(=O)O)c1nnc(NC(=O)C2CC2)o1.
What is the InChIKey of [(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?
The InChIKey is XDUMKJWTXJLUOS-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-12(2,3)7(13-11(18)19)9-15-16-10(20-9)14-8(17)6-4-5-6/h6-7,13H,4-5H2,1-3H3,(H,18,19)(H,14,16,17)/t7-/m1/s1.
What are the key properties of [(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?
[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid has a molecular weight of 282.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 68892927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).