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

C13H24N2O4 — CID 121230344

IUPAC2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)CNCC1CCCN1CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)8-14-7-10-5-4-6-15(10)9-11(16)17/h10,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyUGRQOLBYZKDAOE-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.47
Rot. Bonds6

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

2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid (PubChem CID 121230344) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid
PubChem CID121230344
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)CNCC1CCCN1CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)8-14-7-10-5-4-6-15(10)9-11(16)17/h10,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyUGRQOLBYZKDAOE-UHFFFAOYSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
2-[2-[(cyclopropylmethylamino)methyl]piperidin-1-yl]acetic acid
CID 121230281
tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate
CID 67953868
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566406
methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
CID 43180071
2-[2-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566450
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid
CID 58530414
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010126
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010129
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 96553811
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67010128
tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid (CID 121230344) is 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid is CC(C)(C)OC(=O)CNCC1CCCN1CC(=O)O.
What is the InChIKey of 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is UGRQOLBYZKDAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)8-14-7-10-5-4-6-15(10)9-11(16)17/h10,14H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid?
2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 121230344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).