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

C10H21N3O2 — CID 64583444

IUPAC2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
SMILESCN1CCC(CNCC(N)C(=O)O)CC1
InChIInChI=1S/C10H21N3O2/c1-13-4-2-8(3-5-13)6-12-7-9(11)10(14)15/h8-9,12H,2-7,11H2,1H3,(H,14,15)
InChIKeyDWQZQDXDXLMCKO-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.67
Rot. Bonds5

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

2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid (PubChem CID 64583444) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
PubChem CID64583444
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
SMILESCN1CCC(CNCC(N)C(=O)O)CC1
InChIInChI=1S/C10H21N3O2/c1-13-4-2-8(3-5-13)6-12-7-9(11)10(14)15/h8-9,12H,2-7,11H2,1H3,(H,14,15)
InChIKeyDWQZQDXDXLMCKO-UHFFFAOYSA-N
XLogP-0.67
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanoic acid
CID 115249968
2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 115256154
2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid
CID 106020229
2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107414133
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
2-amino-3-[(3-hydroxycyclobutyl)methylamino]propanoic acid
CID 66007247
(2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride
CID 119866906
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
methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
CID 76818290
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile
CID 115253873

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid (CID 64583444) is 2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid is CN1CCC(CNCC(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid?
The InChIKey is DWQZQDXDXLMCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-13-4-2-8(3-5-13)6-12-7-9(11)10(14)15/h8-9,12H,2-7,11H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid?
2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid has a molecular weight of 215.30 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid is sourced from PubChem (CID 64583444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).