(3S)-3-amino-1-(2-aminoethyl)piperidin-2-one

C7H15N3O — CID 154943138

IUPAC(3S)-3-amino-1-(2-aminoethyl)piperidin-2-one
SMILESNCCN1CCC[C@H](N)C1=O
InChIInChI=1S/C7H15N3O/c8-3-5-10-4-1-2-6(9)7(10)11/h6H,1-5,8-9H2/t6-/m0/s1
InChIKeyMMERXFZQHSEEHI-LURJTMIESA-N
MW157.22 g/mol
LogP-1.11
Rot. Bonds2

About (3S)-3-amino-1-(2-aminoethyl)piperidin-2-one

(3S)-3-amino-1-(2-aminoethyl)piperidin-2-one (PubChem CID 154943138) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (3S)-3-amino-1-(2-aminoethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-(2-aminoethyl)piperidin-2-one
PubChem CID154943138
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(3S)-3-amino-1-(2-aminoethyl)piperidin-2-one
SMILESNCCN1CCC[C@H](N)C1=O
InChIInChI=1S/C7H15N3O/c8-3-5-10-4-1-2-6(9)7(10)11/h6H,1-5,8-9H2/t6-/m0/s1
InChIKeyMMERXFZQHSEEHI-LURJTMIESA-N
XLogP-1.11
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(2-aminoethyl)piperidin-2-one?
The IUPAC name of (3S)-3-amino-1-(2-aminoethyl)piperidin-2-one (CID 154943138) is (3S)-3-amino-1-(2-aminoethyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-(2-aminoethyl)piperidin-2-one?
The canonical SMILES for (3S)-3-amino-1-(2-aminoethyl)piperidin-2-one is NCCN1CCC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-(2-aminoethyl)piperidin-2-one?
The InChIKey is MMERXFZQHSEEHI-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O/c8-3-5-10-4-1-2-6(9)7(10)11/h6H,1-5,8-9H2/t6-/m0/s1.
What are the key properties of (3S)-3-amino-1-(2-aminoethyl)piperidin-2-one?
(3S)-3-amino-1-(2-aminoethyl)piperidin-2-one has a molecular weight of 157.22 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(2-aminoethyl)piperidin-2-one is sourced from PubChem (CID 154943138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).