(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide

C11H23N3O — CID 103814191

IUPAC(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide
SMILESCC[C@H](N)C(=O)NC1CCN(C)CC1C
InChIInChI=1S/C11H23N3O/c1-4-9(12)11(15)13-10-5-6-14(3)7-8(10)2/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t8?,9-,10?/m0/s1
InChIKeyLUAGIRMYOHJJEL-KYHHOPLUSA-N
MW213.32 g/mol
LogP0.18
Rot. Bonds3

About (2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide

(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide (PubChem CID 103814191) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide
PubChem CID103814191
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide
SMILESCC[C@H](N)C(=O)NC1CCN(C)CC1C
InChIInChI=1S/C11H23N3O/c1-4-9(12)11(15)13-10-5-6-14(3)7-8(10)2/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t8?,9-,10?/m0/s1
InChIKeyLUAGIRMYOHJJEL-KYHHOPLUSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide (CID 103814191) is (2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide is CC[C@H](N)C(=O)NC1CCN(C)CC1C.
What is the InChIKey of (2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide?
The InChIKey is LUAGIRMYOHJJEL-KYHHOPLUSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-9(12)11(15)13-10-5-6-14(3)7-8(10)2/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide?
(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide has a molecular weight of 213.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide is sourced from PubChem (CID 103814191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).