(2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C11H18N2O4 — CID 55259397

IUPAC(2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC1(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CCCC1
InChIInChI=1S/C11H18N2O4/c12-11(3-1-2-4-11)10(17)13-6-7(14)5-8(13)9(15)16/h7-8,14H,1-6,12H2,(H,15,16)/t7-,8+/m1/s1
InChIKeyBLKJFKWIHGPIJB-SFYZADRCSA-N
MW242.27 g/mol
LogP-0.70
Rot. Bonds2

About (2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 55259397) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID55259397
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC1(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CCCC1
InChIInChI=1S/C11H18N2O4/c12-11(3-1-2-4-11)10(17)13-6-7(14)5-8(13)9(15)16/h7-8,14H,1-6,12H2,(H,15,16)/t7-,8+/m1/s1
InChIKeyBLKJFKWIHGPIJB-SFYZADRCSA-N
XLogP-0.70
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 55259397) is (2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is NC1(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CCCC1.
What is the InChIKey of (2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is BLKJFKWIHGPIJB-SFYZADRCSA-N. The full InChI is InChI=1S/C11H18N2O4/c12-11(3-1-2-4-11)10(17)13-6-7(14)5-8(13)9(15)16/h7-8,14H,1-6,12H2,(H,15,16)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(1-aminocyclopentanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55259397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).