methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate

C11H21NO4 — CID 106162253

IUPACmethyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
SMILESCOCC(CCO)NC(C(=O)OC)C1CC1
InChIInChI=1S/C11H21NO4/c1-15-7-9(5-6-13)12-10(8-3-4-8)11(14)16-2/h8-10,12-13H,3-7H2,1-2H3
InChIKeySGJDCISIUQEIEB-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.08
Rot. Bonds8

About methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate

methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate (PubChem CID 106162253) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
PubChem CID106162253
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
SMILESCOCC(CCO)NC(C(=O)OC)C1CC1
InChIInChI=1S/C11H21NO4/c1-15-7-9(5-6-13)12-10(8-3-4-8)11(14)16-2/h8-10,12-13H,3-7H2,1-2H3
InChIKeySGJDCISIUQEIEB-UHFFFAOYSA-N
XLogP-0.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate (CID 106162253) is methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate is COCC(CCO)NC(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate?
The InChIKey is SGJDCISIUQEIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-15-7-9(5-6-13)12-10(8-3-4-8)11(14)16-2/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate?
methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate has a molecular weight of 231.29 g/mol, XLogP of -0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate is sourced from PubChem (CID 106162253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).