CID 162513184

C9H16NO3Se — CID 162513184

IUPAC—
SMILESCC[C@H](NC(=O)OC(C)(C)C)C(=O)[Se]
InChIInChI=1S/C9H16NO3Se/c1-5-6(7(11)14)10-8(12)13-9(2,3)4/h6H,5H2,1-4H3,(H,10,12)/t6-/m0/s1
InChIKeyTUFGSEQFZYZGNK-LURJTMIESA-N
MW265.19 g/mol
LogP0.98
Rot. Bonds3

About CID 162513184

CID 162513184 (PubChem CID 162513184) has the molecular formula C9H16NO3Se and a molecular weight of 265.19 g/mol.

Molecular Properties

Compound NameCID 162513184
PubChem CID162513184
Molecular FormulaC9H16NO3Se
Molecular Weight265.19 g/mol
Exact Mass266.03
IUPAC Name—
SMILESCC[C@H](NC(=O)OC(C)(C)C)C(=O)[Se]
InChIInChI=1S/C9H16NO3Se/c1-5-6(7(11)14)10-8(12)13-9(2,3)4/h6H,5H2,1-4H3,(H,10,12)/t6-/m0/s1
InChIKeyTUFGSEQFZYZGNK-LURJTMIESA-N
XLogP0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
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chloro (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 174709718
tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate
CID 177029791
propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141391129
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-[(2S)-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]carbamate
CID 58935373
CID 101486195
CID 101486195
(2S)-3-[(2-methylpropan-2-yl)oxyamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 139885589
methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate
CID 86588879
cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 159673903
3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid
CID 173185703
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381

Frequently Asked Questions

What is the IUPAC name of CID 162513184?
The IUPAC name of CID 162513184 (CID 162513184) is not available.
What is the SMILES notation for CID 162513184?
The canonical SMILES for CID 162513184 is CC[C@H](NC(=O)OC(C)(C)C)C(=O)[Se].
What is the InChIKey of CID 162513184?
The InChIKey is TUFGSEQFZYZGNK-LURJTMIESA-N. The full InChI is InChI=1S/C9H16NO3Se/c1-5-6(7(11)14)10-8(12)13-9(2,3)4/h6H,5H2,1-4H3,(H,10,12)/t6-/m0/s1.
What are the key properties of CID 162513184?
CID 162513184 has a molecular weight of 265.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162513184 is sourced from PubChem (CID 162513184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).