methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate

C11H22N2O3 — CID 115891994

IUPACmethyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate
SMILESCCC(COC)NC1CCN(C(=O)OC)C1
InChIInChI=1S/C11H22N2O3/c1-4-9(8-15-2)12-10-5-6-13(7-10)11(14)16-3/h9-10,12H,4-8H2,1-3H3
InChIKeyFNLCRKJHMUZGTG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.84
Rot. Bonds5

About methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate

methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate (PubChem CID 115891994) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate
PubChem CID115891994
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate
SMILESCCC(COC)NC1CCN(C(=O)OC)C1
InChIInChI=1S/C11H22N2O3/c1-4-9(8-15-2)12-10-5-6-13(7-10)11(14)16-3/h9-10,12H,4-8H2,1-3H3
InChIKeyFNLCRKJHMUZGTG-UHFFFAOYSA-N
XLogP0.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate
CID 115891993
4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83206989
(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone
CID 97232471
ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen
CID 177317699
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
CID 104980485
methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
CID 91643444
methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
CID 99811858
1-ethyl-N-(1-methoxybutan-2-yl)azepan-4-amine
CID 65078446
1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
methyl 3-butan-2-ylpiperidine-1-carboxylate
CID 171824675
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
CID 71998519

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate (CID 115891994) is methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate is CCC(COC)NC1CCN(C(=O)OC)C1.
What is the InChIKey of methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate?
The InChIKey is FNLCRKJHMUZGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-9(8-15-2)12-10-5-6-13(7-10)11(14)16-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate?
methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 115891994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).