3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid

C11H17N3O2 — CID 116881823

IUPAC3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid
SMILESNC(CC(=O)O)c1ncc(C2CCCC2)[nH]1
InChIInChI=1S/C11H17N3O2/c12-8(5-10(15)16)11-13-6-9(14-11)7-3-1-2-4-7/h6-8H,1-5,12H2,(H,13,14)(H,15,16)
InChIKeyRMWHIQVEZDZKNP-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.54
Rot. Bonds4

About 3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid

3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid (PubChem CID 116881823) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid
PubChem CID116881823
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid
SMILESNC(CC(=O)O)c1ncc(C2CCCC2)[nH]1
InChIInChI=1S/C11H17N3O2/c12-8(5-10(15)16)11-13-6-9(14-11)7-3-1-2-4-7/h6-8H,1-5,12H2,(H,13,14)(H,15,16)
InChIKeyRMWHIQVEZDZKNP-UHFFFAOYSA-N
XLogP1.54
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid?
The IUPAC name of 3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid (CID 116881823) is 3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid is NC(CC(=O)O)c1ncc(C2CCCC2)[nH]1.
What is the InChIKey of 3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid?
The InChIKey is RMWHIQVEZDZKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-8(5-10(15)16)11-13-6-9(14-11)7-3-1-2-4-7/h6-8H,1-5,12H2,(H,13,14)(H,15,16).
What are the key properties of 3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid?
3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid is sourced from PubChem (CID 116881823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).