methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate

C11H20N2O3 — CID 60938498

IUPACmethyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
SMILESCCC(N)C(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-8(12)10(14)13-7-5-4-6-9(13)11(15)16-2/h8-9H,3-7,12H2,1-2H3
InChIKeyLTULXDILQDGWOQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.28
Rot. Bonds3

About methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate

methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate (PubChem CID 60938498) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
PubChem CID60938498
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
SMILESCCC(N)C(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-8(12)10(14)13-7-5-4-6-9(13)11(15)16-2/h8-9H,3-7,12H2,1-2H3
InChIKeyLTULXDILQDGWOQ-UHFFFAOYSA-N
XLogP0.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-(2-amino-3-cyclohexylpropanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 174947725
methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 18411452
methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 70062409
methyl 1-(2-cyanobutanoyl)piperidine-2-carboxylate
CID 113330465
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 115280159
methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate
CID 113330634
methyl 1-(2-bromobutanoyl)pyrrolidine-2-carboxylate
CID 62855013
methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
CID 54916660
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate
CID 112745083

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate (CID 60938498) is methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate is CCC(N)C(=O)N1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate?
The InChIKey is LTULXDILQDGWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-8(12)10(14)13-7-5-4-6-9(13)11(15)16-2/h8-9H,3-7,12H2,1-2H3.
What are the key properties of methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate?
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 60938498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).