(2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

C14H22N2O5 — CID 14819165

IUPAC(2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1CC(N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)C(=O)O1
InChIInChI=1S/C14H22N2O5/c1-3-9-7-10(14(20)21-9)15-8(2)12(17)16-6-4-5-11(16)13(18)19/h8-11,15H,3-7H2,1-2H3,(H,18,19)/t8-,9?,10?,11-/m0/s1
InChIKeyPWTVSTDPUAFLGJ-PMUOWJKOSA-N
MW298.34 g/mol
LogP0.13
Rot. Bonds5

About (2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 14819165) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID14819165
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name(2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1CC(N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)C(=O)O1
InChIInChI=1S/C14H22N2O5/c1-3-9-7-10(14(20)21-9)15-8(2)12(17)16-6-4-5-11(16)13(18)19/h8-11,15H,3-7H2,1-2H3,(H,18,19)/t8-,9?,10?,11-/m0/s1
InChIKeyPWTVSTDPUAFLGJ-PMUOWJKOSA-N
XLogP0.13
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 14819165) is (2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid is CCC1CC(N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)C(=O)O1.
What is the InChIKey of (2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PWTVSTDPUAFLGJ-PMUOWJKOSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-3-9-7-10(14(20)21-9)15-8(2)12(17)16-6-4-5-11(16)13(18)19/h8-11,15H,3-7H2,1-2H3,(H,18,19)/t8-,9?,10?,11-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-[(5-ethyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 14819165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).