3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid

C10H17FN2O3 — CID 122015642

IUPAC3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)N[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C10H17FN2O3/c1-13(6-5-9(14)15)10(16)12-8-4-2-3-7(8)11/h7-8H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-,8+/m0/s1
InChIKeyZPQDURNPARVBRU-JGVFFNPUSA-N
MW232.25 g/mol
LogP0.99
Rot. Bonds4

About 3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid

3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid (PubChem CID 122015642) has the molecular formula C10H17FN2O3 and a molecular weight of 232.25 g/mol. Its IUPAC name is 3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid
PubChem CID122015642
Molecular FormulaC10H17FN2O3
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)N[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C10H17FN2O3/c1-13(6-5-9(14)15)10(16)12-8-4-2-3-7(8)11/h7-8H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-,8+/m0/s1
InChIKeyZPQDURNPARVBRU-JGVFFNPUSA-N
XLogP0.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid (CID 122015642) is 3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)N[C@@H]1CCC[C@@H]1F.
What is the InChIKey of 3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid?
The InChIKey is ZPQDURNPARVBRU-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17FN2O3/c1-13(6-5-9(14)15)10(16)12-8-4-2-3-7(8)11/h7-8H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-,8+/m0/s1.
What are the key properties of 3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid?
3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid has a molecular weight of 232.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 122015642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).