2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid

C11H23N3O2 — CID 115256154

IUPAC2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
SMILESCNC(CNCC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C11H23N3O2/c1-12-10(11(15)16)8-13-7-9-3-5-14(2)6-4-9/h9-10,12-13H,3-8H2,1-2H3,(H,15,16)
InChIKeyZQXDVBXNXMDDRQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.41
Rot. Bonds6

About 2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid

2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid (PubChem CID 115256154) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
PubChem CID115256154
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
SMILESCNC(CNCC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C11H23N3O2/c1-12-10(11(15)16)8-13-7-9-3-5-14(2)6-4-9/h9-10,12-13H,3-8H2,1-2H3,(H,15,16)
InChIKeyZQXDVBXNXMDDRQ-UHFFFAOYSA-N
XLogP-0.41
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid
CID 115256149
2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 64583444
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanoic acid
CID 115249968
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
1-cyclopropyl-2-[(1-methylpiperidin-4-yl)methylamino]ethanol
CID 63295066
2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103498156
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile
CID 115253873
(2R)-5-amino-2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830775
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol
CID 115250861
3-methoxy-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62657183

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid?
The IUPAC name of 2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid (CID 115256154) is 2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid?
The canonical SMILES for 2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid is CNC(CNCC1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid?
The InChIKey is ZQXDVBXNXMDDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-12-10(11(15)16)8-13-7-9-3-5-14(2)6-4-9/h9-10,12-13H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid?
2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid has a molecular weight of 229.32 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid is sourced from PubChem (CID 115256154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).