methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate

C8H14N2O3 — CID 10583700

IUPACmethyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC[C@H](N)C1=O
InChIInChI=1S/C8H14N2O3/c1-13-7(11)5-10-4-2-3-6(9)8(10)12/h6H,2-5,9H2,1H3/t6-/m0/s1
InChIKeyIOLCSXIDWHBNQO-LURJTMIESA-N
MW186.21 g/mol
LogP-0.89
Rot. Bonds2

About methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate

methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate (PubChem CID 10583700) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate
PubChem CID10583700
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC[C@H](N)C1=O
InChIInChI=1S/C8H14N2O3/c1-13-7(11)5-10-4-2-3-6(9)8(10)12/h6H,2-5,9H2,1H3/t6-/m0/s1
InChIKeyIOLCSXIDWHBNQO-LURJTMIESA-N
XLogP-0.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate (CID 10583700) is methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate is COC(=O)CN1CCC[C@H](N)C1=O.
What is the InChIKey of methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate?
The InChIKey is IOLCSXIDWHBNQO-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O3/c1-13-7(11)5-10-4-2-3-6(9)8(10)12/h6H,2-5,9H2,1H3/t6-/m0/s1.
What are the key properties of methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate?
methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate has a molecular weight of 186.21 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate is sourced from PubChem (CID 10583700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).