trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid

C6H11NO2 — CID 656716

IUPACtrans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
SMILESN[C@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyMLLSSTJTARJLHK-WHFBIAKZSA-N
MW129.16 g/mol
LogP0.20
Rot. Bonds1

About trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid

trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid (PubChem CID 656716) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
PubChem CID656716
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nametrans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
SMILESN[C@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyMLLSSTJTARJLHK-WHFBIAKZSA-N
XLogP0.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid (CID 656716) is trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid is N[C@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid?
The InChIKey is MLLSSTJTARJLHK-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid?
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid is sourced from PubChem (CID 656716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).