methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C11H21N3O3 — CID 67962750

IUPACmethyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C(=O)N1CCC[C@H]1N)C(C)C
InChIInChI=1S/C11H21N3O3/c1-7(2)9(13-11(16)17-3)10(15)14-6-4-5-8(14)12/h7-9H,4-6,12H2,1-3H3,(H,13,16)/t8-,9+/m0/s1
InChIKeyIIVRNKUNJQGHRX-DTWKUNHWSA-N
MW243.31 g/mol
LogP0.27
Rot. Bonds3

About methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 67962750) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID67962750
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namemethyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C(=O)N1CCC[C@H]1N)C(C)C
InChIInChI=1S/C11H21N3O3/c1-7(2)9(13-11(16)17-3)10(15)14-6-4-5-8(14)12/h7-9H,4-6,12H2,1-3H3,(H,13,16)/t8-,9+/m0/s1
InChIKeyIIVRNKUNJQGHRX-DTWKUNHWSA-N
XLogP0.27
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 67962750) is methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is COC(=O)N[C@@H](C(=O)N1CCC[C@H]1N)C(C)C.
What is the InChIKey of methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is IIVRNKUNJQGHRX-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)9(13-11(16)17-3)10(15)14-6-4-5-8(14)12/h7-9H,4-6,12H2,1-3H3,(H,13,16)/t8-,9+/m0/s1.
What are the key properties of methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 243.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 67962750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).