2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid

C10H19NO3 — CID 79386599

IUPAC2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid
SMILESCN(CC(C)(C)O)C(C(=O)O)C1CC1
InChIInChI=1S/C10H19NO3/c1-10(2,14)6-11(3)8(9(12)13)7-4-5-7/h7-8,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyYOQUAOCOPRILNR-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds5

About 2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid

2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid (PubChem CID 79386599) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid
PubChem CID79386599
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid
SMILESCN(CC(C)(C)O)C(C(=O)O)C1CC1
InChIInChI=1S/C10H19NO3/c1-10(2,14)6-11(3)8(9(12)13)7-4-5-7/h7-8,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyYOQUAOCOPRILNR-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid (CID 79386599) is 2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid is CN(CC(C)(C)O)C(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid?
The InChIKey is YOQUAOCOPRILNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,14)6-11(3)8(9(12)13)7-4-5-7/h7-8,14H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid?
2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid is sourced from PubChem (CID 79386599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).