[(1R,2R,3R)-2,3-diaminocyclopentyl] acetate

C7H14N2O2 — CID 167445479

IUPAC[(1R,2R,3R)-2,3-diaminocyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CC[C@@H](N)[C@H]1N
InChIInChI=1S/C7H14N2O2/c1-4(10)11-6-3-2-5(8)7(6)9/h5-7H,2-3,8-9H2,1H3/t5-,6-,7-/m1/s1
InChIKeyRNJCEVMPNXBKER-FSDSQADBSA-N
MW158.20 g/mol
LogP-0.63
Rot. Bonds1

About [(1R,2R,3R)-2,3-diaminocyclopentyl] acetate

[(1R,2R,3R)-2,3-diaminocyclopentyl] acetate (PubChem CID 167445479) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(1R,2R,3R)-2,3-diaminocyclopentyl] acetate.

Molecular Properties

Compound Name[(1R,2R,3R)-2,3-diaminocyclopentyl] acetate
PubChem CID167445479
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name[(1R,2R,3R)-2,3-diaminocyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CC[C@@H](N)[C@H]1N
InChIInChI=1S/C7H14N2O2/c1-4(10)11-6-3-2-5(8)7(6)9/h5-7H,2-3,8-9H2,1H3/t5-,6-,7-/m1/s1
InChIKeyRNJCEVMPNXBKER-FSDSQADBSA-N
XLogP-0.63
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2,3-diaminocyclopentyl] acetate?
The IUPAC name of [(1R,2R,3R)-2,3-diaminocyclopentyl] acetate (CID 167445479) is [(1R,2R,3R)-2,3-diaminocyclopentyl] acetate.
What is the SMILES notation for [(1R,2R,3R)-2,3-diaminocyclopentyl] acetate?
The canonical SMILES for [(1R,2R,3R)-2,3-diaminocyclopentyl] acetate is CC(=O)O[C@@H]1CC[C@@H](N)[C@H]1N.
What is the InChIKey of [(1R,2R,3R)-2,3-diaminocyclopentyl] acetate?
The InChIKey is RNJCEVMPNXBKER-FSDSQADBSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4(10)11-6-3-2-5(8)7(6)9/h5-7H,2-3,8-9H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of [(1R,2R,3R)-2,3-diaminocyclopentyl] acetate?
[(1R,2R,3R)-2,3-diaminocyclopentyl] acetate has a molecular weight of 158.20 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-2,3-diaminocyclopentyl] acetate is sourced from PubChem (CID 167445479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).