2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid

C10H19NO3 — CID 69186735

IUPAC2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid
SMILESCC(C)(C)O[C@@H]1CN[C@@H](CC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-8-4-7(11-6-8)5-9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyJXHHUKLMSNNIRA-SFYZADRCSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds3

About 2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid

2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid (PubChem CID 69186735) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid
PubChem CID69186735
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid
SMILESCC(C)(C)O[C@@H]1CN[C@@H](CC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-8-4-7(11-6-8)5-9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyJXHHUKLMSNNIRA-SFYZADRCSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid (CID 69186735) is 2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid is CC(C)(C)O[C@@H]1CN[C@@H](CC(=O)O)C1.
What is the InChIKey of 2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid?
The InChIKey is JXHHUKLMSNNIRA-SFYZADRCSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-8-4-7(11-6-8)5-9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m1/s1.
What are the key properties of 2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid?
2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 69186735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).