ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate

C11H22N2O2 — CID 83014180

IUPACethyl 2-methyl-3-(piperidin-1-ylamino)propanoate
SMILESCCOC(=O)C(C)CNN1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)10(2)9-12-13-7-5-4-6-8-13/h10,12H,3-9H2,1-2H3
InChIKeyBNDNFXWRPMGHTQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.18
Rot. Bonds5

About ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate

ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate (PubChem CID 83014180) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(piperidin-1-ylamino)propanoate
PubChem CID83014180
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 2-methyl-3-(piperidin-1-ylamino)propanoate
SMILESCCOC(=O)C(C)CNN1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)10(2)9-12-13-7-5-4-6-8-13/h10,12H,3-9H2,1-2H3
InChIKeyBNDNFXWRPMGHTQ-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate?
The IUPAC name of ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate (CID 83014180) is ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate.
What is the SMILES notation for ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate?
The canonical SMILES for ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate is CCOC(=O)C(C)CNN1CCCCC1.
What is the InChIKey of ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate?
The InChIKey is BNDNFXWRPMGHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-15-11(14)10(2)9-12-13-7-5-4-6-8-13/h10,12H,3-9H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate?
ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate has a molecular weight of 214.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate is sourced from PubChem (CID 83014180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).