tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate

C13H24N2O2 — CID 68688778

IUPACtert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC1([C@@H]2CCNC2)CC1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)9-15-13(5-6-13)10-4-7-14-8-10/h10,14-15H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyONLQFXYRMZMFRM-SNVBAGLBSA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds4

About tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate

tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate (PubChem CID 68688778) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate
PubChem CID68688778
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC1([C@@H]2CCNC2)CC1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)9-15-13(5-6-13)10-4-7-14-8-10/h10,14-15H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyONLQFXYRMZMFRM-SNVBAGLBSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate (CID 68688778) is tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate is CC(C)(C)OC(=O)CNC1([C@@H]2CCNC2)CC1.
What is the InChIKey of tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate?
The InChIKey is ONLQFXYRMZMFRM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)9-15-13(5-6-13)10-4-7-14-8-10/h10,14-15H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate?
tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate has a molecular weight of 240.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate is sourced from PubChem (CID 68688778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).