(2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide

C9H19N3O — CID 61146329

IUPAC(2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@H](N)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C9H19N3O/c1-7(10)9(13)11-8-3-5-12(2)6-4-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-/m0/s1
InChIKeyXHEBQCCXFIFUHU-ZETCQYMHSA-N
MW185.27 g/mol
LogP-0.46
Rot. Bonds2

About (2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide

(2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 61146329) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID61146329
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@H](N)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C9H19N3O/c1-7(10)9(13)11-8-3-5-12(2)6-4-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-/m0/s1
InChIKeyXHEBQCCXFIFUHU-ZETCQYMHSA-N
XLogP-0.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.46
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-methylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide (CID 61146329) is (2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide is C[C@H](N)C(=O)NC1CCN(C)CC1.
What is the InChIKey of (2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is XHEBQCCXFIFUHU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(10)9(13)11-8-3-5-12(2)6-4-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide?
(2S)-2-amino-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 185.27 g/mol, XLogP of -0.46, 2 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-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 61146329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).