(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C10H17NO4 — CID 71748131

IUPAC(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)7-5-4-6(11-7)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)/t6-,7?/m0/s1
InChIKeyZIKVRJYNLPBLTJ-PKPIPKONSA-N
MW215.25 g/mol
LogP0.53
Rot. Bonds2

About (2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 71748131) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID71748131
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)7-5-4-6(11-7)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)/t6-,7?/m0/s1
InChIKeyZIKVRJYNLPBLTJ-PKPIPKONSA-N
XLogP0.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 71748131) is (2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)C1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZIKVRJYNLPBLTJ-PKPIPKONSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)7-5-4-6(11-7)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)/t6-,7?/m0/s1.
What are the key properties of (2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 71748131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).