(2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid

C11H18N2O3 — CID 61174372

IUPAC(2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESNC1(C(=O)N2CCC[C@H]2C(=O)O)CCCC1
InChIInChI=1S/C11H18N2O3/c12-11(5-1-2-6-11)10(16)13-7-3-4-8(13)9(14)15/h8H,1-7,12H2,(H,14,15)/t8-/m0/s1
InChIKeyXKSXNQDBYZUQHG-QMMMGPOBSA-N
MW226.28 g/mol
LogP0.33
Rot. Bonds2

About (2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61174372) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61174372
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESNC1(C(=O)N2CCC[C@H]2C(=O)O)CCCC1
InChIInChI=1S/C11H18N2O3/c12-11(5-1-2-6-11)10(16)13-7-3-4-8(13)9(14)15/h8H,1-7,12H2,(H,14,15)/t8-/m0/s1
InChIKeyXKSXNQDBYZUQHG-QMMMGPOBSA-N
XLogP0.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid (CID 61174372) is (2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid is NC1(C(=O)N2CCC[C@H]2C(=O)O)CCCC1.
What is the InChIKey of (2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XKSXNQDBYZUQHG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O3/c12-11(5-1-2-6-11)10(16)13-7-3-4-8(13)9(14)15/h8H,1-7,12H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-aminocyclopentanecarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61174372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).