2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid

C11H18N2O5 — CID 10682618

IUPAC2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)O)C1=O
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)12-7-4-5-13(9(7)16)6-8(14)15/h7H,4-6H2,1-3H3,(H,12,17)(H,14,15)/t7-/m0/s1
InChIKeyUYBMLDXQOFMMED-ZETCQYMHSA-N
MW258.27 g/mol
LogP0.20
Rot. Bonds3

About 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid

2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid (PubChem CID 10682618) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid
PubChem CID10682618
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)O)C1=O
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)12-7-4-5-13(9(7)16)6-8(14)15/h7H,4-6H2,1-3H3,(H,12,17)(H,14,15)/t7-/m0/s1
InChIKeyUYBMLDXQOFMMED-ZETCQYMHSA-N
XLogP0.20
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-L-alanine
CID 6992569
N-[N-Boc-D-alaninyl]-D-alanine
CID 86308274
2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanamido]acetic acid
CID 7014901
2-(((2S)-1-((tert-butoxy)carbonyl)pyrrolidin-2-yl)formamido)acetic acid
CID 7019896
tert-butyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
CID 71122589
(2S,4R)-4-((tert-butoxycarbonyl)amino)pyrrolidine-2-carboxylic acid
CID 45072314
tert-Butyl (2-oxopyrrolidin-3-yl)carbamate
CID 4198849
(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 9994149
(S)-tert-Butyl (2-oxopyrrolidin-3-yl)carbamate
CID 10750535
(4-Boc-aminobutanoyl)glycine
CID 15934823
(2S)-2-{(3S)-3-[(tert-Butoxycarbonyl)amino]-2-oxopyrrolidin-1-yl}-3-methylbutanoic acid
CID 17040185

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid (CID 10682618) is 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid is CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)O)C1=O.
What is the InChIKey of 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid?
The InChIKey is UYBMLDXQOFMMED-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)12-7-4-5-13(9(7)16)6-8(14)15/h7H,4-6H2,1-3H3,(H,12,17)(H,14,15)/t7-/m0/s1.
What are the key properties of 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid?
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 10682618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).