(1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate

C12H24N2O2 — CID 61284591

IUPAC(1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OC1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)8-11(13)12(15)16-10-4-6-14(3)7-5-10/h9-11H,4-8,13H2,1-3H3/t11-/m0/s1
InChIKeyZWPLHCIRLHWMBJ-NSHDSACASA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds4

About (1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate

(1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate (PubChem CID 61284591) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate
PubChem CID61284591
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OC1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)8-11(13)12(15)16-10-4-6-14(3)7-5-10/h9-11H,4-8,13H2,1-3H3/t11-/m0/s1
InChIKeyZWPLHCIRLHWMBJ-NSHDSACASA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate?
The IUPAC name of (1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate (CID 61284591) is (1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for (1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate is CC(C)C[C@H](N)C(=O)OC1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate?
The InChIKey is ZWPLHCIRLHWMBJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)8-11(13)12(15)16-10-4-6-14(3)7-5-10/h9-11H,4-8,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate?
(1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate has a molecular weight of 228.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 61284591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).