trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate

C10H20N2O2 — CID 68828762

IUPACtrans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@]1(N)CCC[C@H]1N
InChIInChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)10(12)6-4-5-7(10)11/h7H,4-6,11-12H2,1-3H3/t7-,10+/m1/s1
InChIKeyQRFQNBLCNCMMRS-XCBNKYQSSA-N
MW200.28 g/mol
LogP0.54
Rot. Bonds1

About trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate

trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate (PubChem CID 68828762) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate
PubChem CID68828762
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametrans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@]1(N)CCC[C@H]1N
InChIInChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)10(12)6-4-5-7(10)11/h7H,4-6,11-12H2,1-3H3/t7-,10+/m1/s1
InChIKeyQRFQNBLCNCMMRS-XCBNKYQSSA-N
XLogP0.54
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate?
The IUPAC name of trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate (CID 68828762) is trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate.
What is the SMILES notation for trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate?
The canonical SMILES for trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate is CC(C)(C)OC(=O)[C@]1(N)CCC[C@H]1N.
What is the InChIKey of trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate?
The InChIKey is QRFQNBLCNCMMRS-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)10(12)6-4-5-7(10)11/h7H,4-6,11-12H2,1-3H3/t7-,10+/m1/s1.
What are the key properties of trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate?
trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate is sourced from PubChem (CID 68828762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).