cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid

C8H15NO2 — CID 45084888

IUPACcis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid
SMILESCC[C@@H]1CCC[C@@]1(N)C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-6-4-3-5-8(6,9)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8+/m1/s1
InChIKeyVFTCZGKOTNJNAW-SVRRBLITSA-N
MW157.21 g/mol
LogP0.98
Rot. Bonds2

About cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid

cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid (PubChem CID 45084888) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid
PubChem CID45084888
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namecis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid
SMILESCC[C@@H]1CCC[C@@]1(N)C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-6-4-3-5-8(6,9)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8+/m1/s1
InChIKeyVFTCZGKOTNJNAW-SVRRBLITSA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid (CID 45084888) is cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid is CC[C@@H]1CCC[C@@]1(N)C(=O)O.
What is the InChIKey of cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid?
The InChIKey is VFTCZGKOTNJNAW-SVRRBLITSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-6-4-3-5-8(6,9)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid?
cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 45084888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).