(2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide

C9H19N3O — CID 124668280

IUPAC(2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide
SMILESCN1CCC[C@H]([C@@H](CN)C(N)=O)C1
InChIInChI=1S/C9H19N3O/c1-12-4-2-3-7(6-12)8(5-10)9(11)13/h7-8H,2-6,10H2,1H3,(H2,11,13)/t7-,8+/m0/s1
InChIKeyCLNFGWDMGPRNIZ-JGVFFNPUSA-N
MW185.27 g/mol
LogP-0.61
Rot. Bonds3

About (2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide

(2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide (PubChem CID 124668280) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide
PubChem CID124668280
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide
SMILESCN1CCC[C@H]([C@@H](CN)C(N)=O)C1
InChIInChI=1S/C9H19N3O/c1-12-4-2-3-7(6-12)8(5-10)9(11)13/h7-8H,2-6,10H2,1H3,(H2,11,13)/t7-,8+/m0/s1
InChIKeyCLNFGWDMGPRNIZ-JGVFFNPUSA-N
XLogP-0.61
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine
CID 165347854
2-[1-(1-methylpiperidin-3-yl)ethylamino]acetamide
CID 43307274
ethyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]acetate
CID 60811081
1-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 116933806
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
methyl 3-amino-2-(1-methylazetidin-3-yl)propanoate
CID 83816379
3-methoxy-3-(1-methylpiperidin-3-yl)propan-1-amine
CID 105442328
2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
CID 83483250
methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate
CID 116860649
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine
CID 115022101
acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine
CID 145244362

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide?
The IUPAC name of (2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide (CID 124668280) is (2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide.
What is the SMILES notation for (2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide?
The canonical SMILES for (2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide is CN1CCC[C@H]([C@@H](CN)C(N)=O)C1.
What is the InChIKey of (2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide?
The InChIKey is CLNFGWDMGPRNIZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12-4-2-3-7(6-12)8(5-10)9(11)13/h7-8H,2-6,10H2,1H3,(H2,11,13)/t7-,8+/m0/s1.
What are the key properties of (2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide?
(2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide has a molecular weight of 185.27 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide is sourced from PubChem (CID 124668280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).