[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate

C16H26N2O5 — CID 51609216

IUPAC[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)NC[C@@H]1CCCO1
InChIInChI=1S/C16H26N2O5/c19-14(17-9-13-7-4-8-22-13)11-23-15(20)10-18-16(21)12-5-2-1-3-6-12/h12-13H,1-11H2,(H,17,19)(H,18,21)/t13-/m0/s1
InChIKeyNRXZBYXNUKEDGU-ZDUSSCGKSA-N
MW326.39 g/mol
LogP0.52
Rot. Bonds7

About [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 51609216) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID51609216
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)NC[C@@H]1CCCO1
InChIInChI=1S/C16H26N2O5/c19-14(17-9-13-7-4-8-22-13)11-23-15(20)10-18-16(21)12-5-2-1-3-6-12/h12-13H,1-11H2,(H,17,19)(H,18,21)/t13-/m0/s1
InChIKeyNRXZBYXNUKEDGU-ZDUSSCGKSA-N
XLogP0.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 51609217
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921441
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884918
N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide
CID 2908132
4-N-cyclohexyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146083
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570270
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570267
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] adamantane-1-carboxylate
CID 5213454

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate (CID 51609216) is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(COC(=O)CNC(=O)C1CCCCC1)NC[C@@H]1CCCO1.
What is the InChIKey of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is NRXZBYXNUKEDGU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O5/c19-14(17-9-13-7-4-8-22-13)11-23-15(20)10-18-16(21)12-5-2-1-3-6-12/h12-13H,1-11H2,(H,17,19)(H,18,21)/t13-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 326.39 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 51609216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).