CID 101486195

C14H18NO3Se — CID 101486195

IUPAC—
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[Se]
InChIInChI=1S/C14H18NO3Se/c1-14(2,3)18-13(17)15-11(12(16)19)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyRGDWVHPKOIOWJJ-LLVKDONJSA-N
MW327.26 g/mol
LogP1.82
Rot. Bonds4

About CID 101486195

CID 101486195 (PubChem CID 101486195) has the molecular formula C14H18NO3Se and a molecular weight of 327.26 g/mol.

Molecular Properties

Compound NameCID 101486195
PubChem CID101486195
Molecular FormulaC14H18NO3Se
Molecular Weight327.26 g/mol
Exact Mass328.05
IUPAC Name—
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[Se]
InChIInChI=1S/C14H18NO3Se/c1-14(2,3)18-13(17)15-11(12(16)19)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyRGDWVHPKOIOWJJ-LLVKDONJSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 51.82
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

tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
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tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenylbutanoic acid
CID 18786657
lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 174145347
tert-butyl N-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15225080
tert-butyl N-(3-oxo-1-phenylpentan-2-yl)carbamate
CID 20726658
methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenylbutanoate
CID 10063801
tert-butyl N-[(2S)-1-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]butylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10918947
(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 14020970
tert-butyl N-[(2S)-1-methylsulfonyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 57214273
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(1-phenylpropan-2-ylamino)propan-2-yl]carbamate
CID 148813145
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
CID 4623908

Frequently Asked Questions

What is the IUPAC name of CID 101486195?
The IUPAC name of CID 101486195 (CID 101486195) is not available.
What is the SMILES notation for CID 101486195?
The canonical SMILES for CID 101486195 is CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[Se].
What is the InChIKey of CID 101486195?
The InChIKey is RGDWVHPKOIOWJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18NO3Se/c1-14(2,3)18-13(17)15-11(12(16)19)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of CID 101486195?
CID 101486195 has a molecular weight of 327.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101486195 is sourced from PubChem (CID 101486195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).