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

C9H19N3O2 — CID 83010908

IUPACmethyl 3-amino-2-(piperidin-1-ylamino)propanoate
SMILESCOC(=O)C(CN)NN1CCCCC1
InChIInChI=1S/C9H19N3O2/c1-14-9(13)8(7-10)11-12-5-3-2-4-6-12/h8,11H,2-7,10H2,1H3
InChIKeyKEWDQXJXMDMHOK-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.52
Rot. Bonds4

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

methyl 3-amino-2-(piperidin-1-ylamino)propanoate (PubChem CID 83010908) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-amino-2-(piperidin-1-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(piperidin-1-ylamino)propanoate
PubChem CID83010908
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Namemethyl 3-amino-2-(piperidin-1-ylamino)propanoate
SMILESCOC(=O)C(CN)NN1CCCCC1
InChIInChI=1S/C9H19N3O2/c1-14-9(13)8(7-10)11-12-5-3-2-4-6-12/h8,11H,2-7,10H2,1H3
InChIKeyKEWDQXJXMDMHOK-UHFFFAOYSA-N
XLogP-0.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(piperidin-1-ylamino)propanoate?
The IUPAC name of methyl 3-amino-2-(piperidin-1-ylamino)propanoate (CID 83010908) is methyl 3-amino-2-(piperidin-1-ylamino)propanoate.
What is the SMILES notation for methyl 3-amino-2-(piperidin-1-ylamino)propanoate?
The canonical SMILES for methyl 3-amino-2-(piperidin-1-ylamino)propanoate is COC(=O)C(CN)NN1CCCCC1.
What is the InChIKey of methyl 3-amino-2-(piperidin-1-ylamino)propanoate?
The InChIKey is KEWDQXJXMDMHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-14-9(13)8(7-10)11-12-5-3-2-4-6-12/h8,11H,2-7,10H2,1H3.
What are the key properties of methyl 3-amino-2-(piperidin-1-ylamino)propanoate?
methyl 3-amino-2-(piperidin-1-ylamino)propanoate has a molecular weight of 201.27 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(piperidin-1-ylamino)propanoate is sourced from PubChem (CID 83010908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).