propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate

C10H19NO3 — CID 66004857

IUPACpropan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate
SMILESCC(C)OC(=O)CNCC1CC(O)C1
InChIInChI=1S/C10H19NO3/c1-7(2)14-10(13)6-11-5-8-3-9(12)4-8/h7-9,11-12H,3-6H2,1-2H3
InChIKeyIEIGIBWYPLFGSD-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds5

About propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate

propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate (PubChem CID 66004857) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate
PubChem CID66004857
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namepropan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate
SMILESCC(C)OC(=O)CNCC1CC(O)C1
InChIInChI=1S/C10H19NO3/c1-7(2)14-10(13)6-11-5-8-3-9(12)4-8/h7-9,11-12H,3-6H2,1-2H3
InChIKeyIEIGIBWYPLFGSD-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate?
The IUPAC name of propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate (CID 66004857) is propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate?
The canonical SMILES for propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate is CC(C)OC(=O)CNCC1CC(O)C1.
What is the InChIKey of propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate?
The InChIKey is IEIGIBWYPLFGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)14-10(13)6-11-5-8-3-9(12)4-8/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate?
propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate has a molecular weight of 201.27 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate is sourced from PubChem (CID 66004857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).