(2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate

C10H20N2O2 — CID 174679579

IUPAC(2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate
SMILESCC(C1CCNC1)C(C)(C)OC(N)=O
InChIInChI=1S/C10H20N2O2/c1-7(8-4-5-12-6-8)10(2,3)14-9(11)13/h7-8,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyVJAXQKOBJHCSMR-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.11
Rot. Bonds3

About (2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate

(2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate (PubChem CID 174679579) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate.

Molecular Properties

Compound Name(2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate
PubChem CID174679579
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate
SMILESCC(C1CCNC1)C(C)(C)OC(N)=O
InChIInChI=1S/C10H20N2O2/c1-7(8-4-5-12-6-8)10(2,3)14-9(11)13/h7-8,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyVJAXQKOBJHCSMR-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate?
The IUPAC name of (2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate (CID 174679579) is (2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate.
What is the SMILES notation for (2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate?
The canonical SMILES for (2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate is CC(C1CCNC1)C(C)(C)OC(N)=O.
What is the InChIKey of (2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate?
The InChIKey is VJAXQKOBJHCSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(8-4-5-12-6-8)10(2,3)14-9(11)13/h7-8,12H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of (2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate?
(2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate is sourced from PubChem (CID 174679579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).