propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate

C12H23NO2 — CID 171394207

IUPACpropan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate
SMILESCC(C)C[C@@]1(C(=O)OC(C)C)CCCN1
InChIInChI=1S/C12H23NO2/c1-9(2)8-12(6-5-7-13-12)11(14)15-10(3)4/h9-10,13H,5-8H2,1-4H3/t12-/m1/s1
InChIKeyMRCWOVMONMYPRF-GFCCVEGCSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds4

About propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate

propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate (PubChem CID 171394207) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate
PubChem CID171394207
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namepropan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate
SMILESCC(C)C[C@@]1(C(=O)OC(C)C)CCCN1
InChIInChI=1S/C12H23NO2/c1-9(2)8-12(6-5-7-13-12)11(14)15-10(3)4/h9-10,13H,5-8H2,1-4H3/t12-/m1/s1
InChIKeyMRCWOVMONMYPRF-GFCCVEGCSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 2-methylpyrrolidine-2-carboxylate
CID 13822996
Ethyl 2-ethylpyrrolidine-2-carboxylate
CID 58405851
Methyl 2-propylpyrrolidine-2-carboxylate
CID 77884787
Methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate
CID 131631962
Tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate
CID 134691185
tert-butyl (2S)-2-methylpyrrolidine-2-carboxylate hydrochloride
CID 137964047
tert-butyl (2R)-2-methylpyrrolidine-2-carboxylate hydrochloride
CID 137964051
Tert-butyl (2R)-2-methylpyrrolidine-2-carboxylate
CID 95366190
Ethyl 2-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxylate
CID 69913285
Methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate
CID 155821413
L-Proline, 4-methyl-, ethyl ester, cis-
CID 1515220
trans-3-Ethylproline ethyl ester
CID 96009810

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate (CID 171394207) is propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate is CC(C)C[C@@]1(C(=O)OC(C)C)CCCN1.
What is the InChIKey of propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate?
The InChIKey is MRCWOVMONMYPRF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)8-12(6-5-7-13-12)11(14)15-10(3)4/h9-10,13H,5-8H2,1-4H3/t12-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate?
propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-(2-methylpropyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 171394207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).