3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid

C16H21N5O2 — CID 11500637

IUPAC3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid
SMILESNc1ccc(CC(C(=O)O)c2cn(C3CCNCC3)cn2)cn1
InChIInChI=1S/C16H21N5O2/c17-15-2-1-11(8-19-15)7-13(16(22)23)14-9-21(10-20-14)12-3-5-18-6-4-12/h1-2,8-10,12-13,18H,3-7H2,(H2,17,19)(H,22,23)
InChIKeyZPMPWZIJWOLMHZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.20
Rot. Bonds5

About 3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid

3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid (PubChem CID 11500637) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid
PubChem CID11500637
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid
SMILESNc1ccc(CC(C(=O)O)c2cn(C3CCNCC3)cn2)cn1
InChIInChI=1S/C16H21N5O2/c17-15-2-1-11(8-19-15)7-13(16(22)23)14-9-21(10-20-14)12-3-5-18-6-4-12/h1-2,8-10,12-13,18H,3-7H2,(H2,17,19)(H,22,23)
InChIKeyZPMPWZIJWOLMHZ-UHFFFAOYSA-N
XLogP1.20
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid?
The IUPAC name of 3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid (CID 11500637) is 3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid is Nc1ccc(CC(C(=O)O)c2cn(C3CCNCC3)cn2)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid?
The InChIKey is ZPMPWZIJWOLMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c17-15-2-1-11(8-19-15)7-13(16(22)23)14-9-21(10-20-14)12-3-5-18-6-4-12/h1-2,8-10,12-13,18H,3-7H2,(H2,17,19)(H,22,23).
What are the key properties of 3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid?
3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid has a molecular weight of 315.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 11500637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).