cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid

C13H21NO5 — CID 114093185

IUPACcis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)N2CC(O)C(O)C2)[C@H](C(=O)O)C1
InChIInChI=1S/C13H21NO5/c1-2-7-3-8(9(4-7)13(18)19)12(17)14-5-10(15)11(16)6-14/h7-11,15-16H,2-6H2,1H3,(H,18,19)/t7?,8-,9+,10?,11?/m0/s1
InChIKeyBBXQVILFFSEJMS-HTZPYZLISA-N
MW271.31 g/mol
LogP-0.31
Rot. Bonds3

About cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid

cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114093185) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114093185
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namecis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)N2CC(O)C(O)C2)[C@H](C(=O)O)C1
InChIInChI=1S/C13H21NO5/c1-2-7-3-8(9(4-7)13(18)19)12(17)14-5-10(15)11(16)6-14/h7-11,15-16H,2-6H2,1H3,(H,18,19)/t7?,8-,9+,10?,11?/m0/s1
InChIKeyBBXQVILFFSEJMS-HTZPYZLISA-N
XLogP-0.31
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid (CID 114093185) is cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid is CCC1C[C@H](C(=O)N2CC(O)C(O)C2)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is BBXQVILFFSEJMS-HTZPYZLISA-N. The full InChI is InChI=1S/C13H21NO5/c1-2-7-3-8(9(4-7)13(18)19)12(17)14-5-10(15)11(16)6-14/h7-11,15-16H,2-6H2,1H3,(H,18,19)/t7?,8-,9+,10?,11?/m0/s1.
What are the key properties of cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114093185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).