methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate

C11H22N2O2 — CID 43723592

IUPACmethyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate
SMILESCCN1CCC(N[C@@H](C)C(=O)OC)CC1
InChIInChI=1S/C11H22N2O2/c1-4-13-7-5-10(6-8-13)12-9(2)11(14)15-3/h9-10,12H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyRUNGNOGZYILFCU-VIFPVBQESA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds4

About methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate

methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate (PubChem CID 43723592) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate
PubChem CID43723592
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate
SMILESCCN1CCC(N[C@@H](C)C(=O)OC)CC1
InChIInChI=1S/C11H22N2O2/c1-4-13-7-5-10(6-8-13)12-9(2)11(14)15-3/h9-10,12H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyRUNGNOGZYILFCU-VIFPVBQESA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate (CID 43723592) is methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate is CCN1CCC(N[C@@H](C)C(=O)OC)CC1.
What is the InChIKey of methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate?
The InChIKey is RUNGNOGZYILFCU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-13-7-5-10(6-8-13)12-9(2)11(14)15-3/h9-10,12H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate?
methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate is sourced from PubChem (CID 43723592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).