2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid

C12H20N2O5 — CID 7019878

IUPAC2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)O
InChIInChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)14-6-4-5-8(14)10(17)13-7-9(15)16/h8H,4-7H2,1-3H3,(H,13,17)(H,15,16)/t8-/m1/s1
InChIKeyPLJXCLBLFPFXEN-MRVPVSSYSA-N
MW272.30 g/mol
LogP0.59
Rot. Bonds3

About 2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid

2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 7019878) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID7019878
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)O
InChIInChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)14-6-4-5-8(14)10(17)13-7-9(15)16/h8H,4-7H2,1-3H3,(H,13,17)(H,15,16)/t8-/m1/s1
InChIKeyPLJXCLBLFPFXEN-MRVPVSSYSA-N
XLogP0.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid (CID 7019878) is 2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid is CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is PLJXCLBLFPFXEN-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)14-6-4-5-8(14)10(17)13-7-9(15)16/h8H,4-7H2,1-3H3,(H,13,17)(H,15,16)/t8-/m1/s1.
What are the key properties of 2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid?
2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 7019878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).