[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate

C15H19NO4 — CID 11011290

IUPAC[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CCC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c1-11(17)20-14-9-5-8-13(14)16-15(18)19-10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyPCCCAJKNOHQNQT-ZIAGYGMSSA-N
MW277.32 g/mol
LogP2.40
Rot. Bonds4

About [(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate

[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate (PubChem CID 11011290) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate
PubChem CID11011290
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CCC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c1-11(17)20-14-9-5-8-13(14)16-15(18)19-10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyPCCCAJKNOHQNQT-ZIAGYGMSSA-N
XLogP2.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate?
The IUPAC name of [(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate (CID 11011290) is [(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate.
What is the SMILES notation for [(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate?
The canonical SMILES for [(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate is CC(=O)O[C@@H]1CCC[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of [(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate?
The InChIKey is PCCCAJKNOHQNQT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11(17)20-14-9-5-8-13(14)16-15(18)19-10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,16,18)/t13-,14-/m1/s1.
What are the key properties of [(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate?
[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate has a molecular weight of 277.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate is sourced from PubChem (CID 11011290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).