2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid

C12H22N2O4 — CID 121230383

IUPAC2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)CN[C@@H]1CCN(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)6-13-9-4-5-14(7-9)8-10(15)16/h9,13H,4-8H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyHYTKCLJBFJSVAZ-SECBINFHSA-N
MW258.32 g/mol
LogP0.08
Rot. Bonds5

About 2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid

2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid (PubChem CID 121230383) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid
PubChem CID121230383
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)CN[C@@H]1CCN(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)6-13-9-4-5-14(7-9)8-10(15)16/h9,13H,4-8H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyHYTKCLJBFJSVAZ-SECBINFHSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid with MolForge

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Related Compounds

ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
CID 142042736
tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate
CID 115300552
tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate
CID 81462946
tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate
CID 83996792
tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998176
tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 75444294
tert-butyl 2-[3-(methylamino)piperidin-1-yl]acetate
CID 55138302
tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate
CID 81467364
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566396
2-(3-acetamidopyrrolidin-1-yl)acetic acid
CID 66567726
2-[7-(carboxymethyl)-4-(2-methoxy-2-oxoethyl)-10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118103312
tert-butyl 2-[(3-methylcyclopentyl)amino]acetate
CID 58369136

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid (CID 121230383) is 2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid is CC(C)(C)OC(=O)CN[C@@H]1CCN(CC(=O)O)C1.
What is the InChIKey of 2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid?
The InChIKey is HYTKCLJBFJSVAZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)6-13-9-4-5-14(7-9)8-10(15)16/h9,13H,4-8H2,1-3H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid?
2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 121230383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).