(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid

C9H14N2O5 — CID 67130111

IUPAC(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C(=O)NC[C@@H]1C(=O)O
InChIInChI=1S/C9H14N2O5/c1-9(2,3)16-8(15)11-5(6(12)13)4-10-7(11)14/h5H,4H2,1-3H3,(H,10,14)(H,12,13)/t5-/m1/s1
InChIKeyHXFSHSZDYCWDIO-RXMQYKEDSA-N
MW230.22 g/mol
LogP0.40
Rot. Bonds1

About (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid

(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 67130111) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid
PubChem CID67130111
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C(=O)NC[C@@H]1C(=O)O
InChIInChI=1S/C9H14N2O5/c1-9(2,3)16-8(15)11-5(6(12)13)4-10-7(11)14/h5H,4H2,1-3H3,(H,10,14)(H,12,13)/t5-/m1/s1
InChIKeyHXFSHSZDYCWDIO-RXMQYKEDSA-N
XLogP0.40
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid (CID 67130111) is (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid is CC(C)(C)OC(=O)N1C(=O)NC[C@@H]1C(=O)O.
What is the InChIKey of (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is HXFSHSZDYCWDIO-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-9(2,3)16-8(15)11-5(6(12)13)4-10-7(11)14/h5H,4H2,1-3H3,(H,10,14)(H,12,13)/t5-/m1/s1.
What are the key properties of (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid?
(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 67130111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).