methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate

C13H22N2O4 — CID 120785620

IUPACmethyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)[C@@H]2CC[C@H](CN)O2)CCCC1
InChIInChI=1S/C13H22N2O4/c1-18-12(17)13(6-2-3-7-13)15-11(16)10-5-4-9(8-14)19-10/h9-10H,2-8,14H2,1H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyJUGKKFDBYBRHKI-ZJUUUORDSA-N
MW270.33 g/mol
LogP0.09
Rot. Bonds4

About methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate

methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate (PubChem CID 120785620) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate
PubChem CID120785620
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)[C@@H]2CC[C@H](CN)O2)CCCC1
InChIInChI=1S/C13H22N2O4/c1-18-12(17)13(6-2-3-7-13)15-11(16)10-5-4-9(8-14)19-10/h9-10H,2-8,14H2,1H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyJUGKKFDBYBRHKI-ZJUUUORDSA-N
XLogP0.09
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate (CID 120785620) is methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)[C@@H]2CC[C@H](CN)O2)CCCC1.
What is the InChIKey of methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate?
The InChIKey is JUGKKFDBYBRHKI-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-18-12(17)13(6-2-3-7-13)15-11(16)10-5-4-9(8-14)19-10/h9-10H,2-8,14H2,1H3,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 120785620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).