cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate

C11H19NO3 — CID 106323805

IUPACcis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
SMILESN[C@H]1CC[C@@H](C(=O)OCC2CCCO2)C1
InChIInChI=1S/C11H19NO3/c12-9-4-3-8(6-9)11(13)15-7-10-2-1-5-14-10/h8-10H,1-7,12H2/t8-,9+,10?/m1/s1
InChIKeyLRGCXSIJVQQZIX-ZDGBYWQASA-N
MW213.28 g/mol
LogP0.84
Rot. Bonds3

About cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate

cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate (PubChem CID 106323805) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
PubChem CID106323805
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namecis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
SMILESN[C@H]1CC[C@@H](C(=O)OCC2CCCO2)C1
InChIInChI=1S/C11H19NO3/c12-9-4-3-8(6-9)11(13)15-7-10-2-1-5-14-10/h8-10H,1-7,12H2/t8-,9+,10?/m1/s1
InChIKeyLRGCXSIJVQQZIX-ZDGBYWQASA-N
XLogP0.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-2-ylmethyl 3-aminocyclohexane-1-carboxylate
CID 55148465
cis-oxan-4-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323850
oxolan-2-ylmethyl pyrrolidine-3-carboxylate
CID 63031488
[(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 97080553
3-amino-N-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide
CID 66008154
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
bis(oxiran-2-ylmethyl) cyclohexane-1,3-dicarboxylate
CID 23434861
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
oxan-2-ylmethyl (3S)-piperidine-3-carboxylate
CID 81126221
oxan-2-ylmethyl piperidine-3-carboxylate
CID 61279233
oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612573
1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one
CID 116557342

Frequently Asked Questions

What is the IUPAC name of cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate?
The IUPAC name of cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate (CID 106323805) is cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate.
What is the SMILES notation for cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate?
The canonical SMILES for cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate is N[C@H]1CC[C@@H](C(=O)OCC2CCCO2)C1.
What is the InChIKey of cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate?
The InChIKey is LRGCXSIJVQQZIX-ZDGBYWQASA-N. The full InChI is InChI=1S/C11H19NO3/c12-9-4-3-8(6-9)11(13)15-7-10-2-1-5-14-10/h8-10H,1-7,12H2/t8-,9+,10?/m1/s1.
What are the key properties of cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate?
cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 106323805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).