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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Related Compounds

(3S)-3-aminocyclohexane-1-carboxylic acid
CID 67383005
3-aminocyclododecane-1-carboxylic acid
CID 71162813
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
4-aminocyclohexane-1,2-dicarboxylic acid
CID 22559921
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
1-[(1R,3R)-3-aminocyclopentyl]ethanone
CID 59689000
1-[(1R,3S)-3-aminocyclopentyl]ethanone
CID 59688992
(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
CID 162343513
5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid
CID 142513853
cis-(1R,3S)-3-aminocyclopentane-1-carboxylic acid;1-fluoro-4-isocyanobenzene
CID 158557663
(3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone
CID 116587119
3-aminocyclopentane-1-carbohydrazide
CID 66010273

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).