3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C10H17NO4 — CID 22956955

IUPAC3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C1CCNC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)6-4-5-11-7(6)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyMGWXOBFPZDYUJA-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 22956955) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID22956955
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C1CCNC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)6-4-5-11-7(6)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyMGWXOBFPZDYUJA-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
tert-butyl 3-methylpiperidine-4-carboxylate
CID 3356505
5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 67304231
tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate
CID 96860128
cis-(1R,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 118566012
tert-butyl (3R,4R)-3-methylpiperidine-4-carboxylate;molecular hydrogen
CID 142290710
ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
CID 161011942
3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
CID 15817833
(2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 175508356
4-[(2-methylpropan-2-yl)oxycarbonyl]thiolane-3-carboxylic acid
CID 18953003
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 71748131

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 22956955) is 3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)C1CCNC1C(=O)O.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MGWXOBFPZDYUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)6-4-5-11-7(6)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22956955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).