(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide

C8H15N3O2 — CID 11902966

IUPAC(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide
SMILESC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C8H15N3O2/c1-5(9)8(13)11-4-2-3-6(11)7(10)12/h5-6H,2-4,9H2,1H3,(H2,10,12)/t5-,6-/m0/s1
InChIKeyOCUQILXOPJOUAM-WDSKDSINSA-N
MW185.23 g/mol
LogP-1.19
Rot. Bonds2

About (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide (PubChem CID 11902966) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide
PubChem CID11902966
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide
SMILESC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C8H15N3O2/c1-5(9)8(13)11-4-2-3-6(11)7(10)12/h5-6H,2-4,9H2,1H3,(H2,10,12)/t5-,6-/m0/s1
InChIKeyOCUQILXOPJOUAM-WDSKDSINSA-N
XLogP-1.19
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide (CID 11902966) is (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide is C[C@H](N)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide?
The InChIKey is OCUQILXOPJOUAM-WDSKDSINSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5(9)8(13)11-4-2-3-6(11)7(10)12/h5-6H,2-4,9H2,1H3,(H2,10,12)/t5-,6-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11902966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).