(1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate

C9H18N2O2 — CID 66769266

IUPAC(1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate
SMILESCC(C)(CN)OC(=O)C1CCNC1
InChIInChI=1S/C9H18N2O2/c1-9(2,6-10)13-8(12)7-3-4-11-5-7/h7,11H,3-6,10H2,1-2H3
InChIKeyVKFUWTWNRBKWMO-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.12
Rot. Bonds3

About (1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate

(1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate (PubChem CID 66769266) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate
PubChem CID66769266
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate
SMILESCC(C)(CN)OC(=O)C1CCNC1
InChIInChI=1S/C9H18N2O2/c1-9(2,6-10)13-8(12)7-3-4-11-5-7/h7,11H,3-6,10H2,1-2H3
InChIKeyVKFUWTWNRBKWMO-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate?
The IUPAC name of (1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate (CID 66769266) is (1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate?
The canonical SMILES for (1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate is CC(C)(CN)OC(=O)C1CCNC1.
What is the InChIKey of (1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate?
The InChIKey is VKFUWTWNRBKWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,6-10)13-8(12)7-3-4-11-5-7/h7,11H,3-6,10H2,1-2H3.
What are the key properties of (1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate?
(1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate has a molecular weight of 186.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate is sourced from PubChem (CID 66769266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).