2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid

C12H20N4O2 — CID 116881783

IUPAC2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid
SMILESCN1CCCC(c2cnc(CC(N)C(=O)O)[nH]2)C1
InChIInChI=1S/C12H20N4O2/c1-16-4-2-3-8(7-16)10-6-14-11(15-10)5-9(13)12(17)18/h6,8-9H,2-5,7,13H2,1H3,(H,14,15)(H,17,18)
InChIKeyCUNYMOWKFXMKAS-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.17
Rot. Bonds4

About 2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid

2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid (PubChem CID 116881783) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid
PubChem CID116881783
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid
SMILESCN1CCCC(c2cnc(CC(N)C(=O)O)[nH]2)C1
InChIInChI=1S/C12H20N4O2/c1-16-4-2-3-8(7-16)10-6-14-11(15-10)5-9(13)12(17)18/h6,8-9H,2-5,7,13H2,1H3,(H,14,15)(H,17,18)
InChIKeyCUNYMOWKFXMKAS-UHFFFAOYSA-N
XLogP0.17
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine
CID 116876745
4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine
CID 116877125
2-amino-3-[4-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117442921
2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol
CID 116881626
1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
CID 105495239
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid
CID 116900046
2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 116886675
4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one
CID 116880941
3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid
CID 95804870
1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974333
3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid
CID 116881823
5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid
CID 115032031

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid?
The IUPAC name of 2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid (CID 116881783) is 2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid is CN1CCCC(c2cnc(CC(N)C(=O)O)[nH]2)C1.
What is the InChIKey of 2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid?
The InChIKey is CUNYMOWKFXMKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-4-2-3-8(7-16)10-6-14-11(15-10)5-9(13)12(17)18/h6,8-9H,2-5,7,13H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid?
2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid has a molecular weight of 252.32 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid is sourced from PubChem (CID 116881783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).