3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid

C8H15NO3 — CID 157029555

IUPAC3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid
SMILESN[C@H]1CCC[C@@H]1OCCC(=O)O
InChIInChI=1S/C8H15NO3/c9-6-2-1-3-7(6)12-5-4-8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-/m0/s1
InChIKeyRXKUCWMDAKZNPR-BQBZGAKWSA-N
MW173.21 g/mol
LogP0.36
Rot. Bonds4

About 3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid

3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid (PubChem CID 157029555) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid.

Molecular Properties

Compound Name3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid
PubChem CID157029555
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid
SMILESN[C@H]1CCC[C@@H]1OCCC(=O)O
InChIInChI=1S/C8H15NO3/c9-6-2-1-3-7(6)12-5-4-8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-/m0/s1
InChIKeyRXKUCWMDAKZNPR-BQBZGAKWSA-N
XLogP0.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid?
The IUPAC name of 3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid (CID 157029555) is 3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid.
What is the SMILES notation for 3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid?
The canonical SMILES for 3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid is N[C@H]1CCC[C@@H]1OCCC(=O)O.
What is the InChIKey of 3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid?
The InChIKey is RXKUCWMDAKZNPR-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO3/c9-6-2-1-3-7(6)12-5-4-8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of 3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid?
3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-aminocyclopentyl]oxypropanoic acid is sourced from PubChem (CID 157029555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).