2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate

C9H18N2O2 — CID 94340136

IUPAC2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C9H18N2O2/c1-7(2)6-13-9(12)11-4-3-8(10)5-11/h7-8H,3-6,10H2,1-2H3/t8-/m1/s1
InChIKeyJMFGHOKOONZFJE-MRVPVSSYSA-N
MW186.25 g/mol
LogP0.81
Rot. Bonds2

About 2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate

2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate (PubChem CID 94340136) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
PubChem CID94340136
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C9H18N2O2/c1-7(2)6-13-9(12)11-4-3-8(10)5-11/h7-8H,3-6,10H2,1-2H3/t8-/m1/s1
InChIKeyJMFGHOKOONZFJE-MRVPVSSYSA-N
XLogP0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 3-aminopyrrolidine-1-carboxylate
CID 62067213
2-methylpropyl 3-aminopiperidine-1-carboxylate
CID 61297583
2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 63263913
2-methylpropyl 3-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 71270916
(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 94917653
2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate
CID 79994442
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
ethane;2-methylpropyl 4-[(1-acetylpiperidin-4-yl)methyl]piperidine-1-carboxylate
CID 171073059
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methylpropoxy)propan-1-one;hydrochloride
CID 119410008
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate (CID 94340136) is 2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate is CC(C)COC(=O)N1CC[C@@H](N)C1.
What is the InChIKey of 2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate?
The InChIKey is JMFGHOKOONZFJE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)6-13-9(12)11-4-3-8(10)5-11/h7-8H,3-6,10H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate?
2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate is sourced from PubChem (CID 94340136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).