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

C16H26N2O5 — CID 14819169

IUPAC(2S)-1-[(2S)-2-[(5-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCCCCC1CC(N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)C(=O)O1
InChIInChI=1S/C16H26N2O5/c1-3-4-6-11-9-12(16(22)23-11)17-10(2)14(19)18-8-5-7-13(18)15(20)21/h10-13,17H,3-9H2,1-2H3,(H,20,21)/t10-,11?,12?,13-/m0/s1
InChIKeyMWALIMRGPYENEJ-WTIISPKJSA-N
MW326.39 g/mol
LogP0.91
Rot. Bonds7

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

(2S)-1-[(2S)-2-[(5-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 14819169) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[(5-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[(5-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID14819169
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(2S)-1-[(2S)-2-[(5-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCCCCC1CC(N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)C(=O)O1
InChIInChI=1S/C16H26N2O5/c1-3-4-6-11-9-12(16(22)23-11)17-10(2)14(19)18-8-5-7-13(18)15(20)21/h10-13,17H,3-9H2,1-2H3,(H,20,21)/t10-,11?,12?,13-/m0/s1
InChIKeyMWALIMRGPYENEJ-WTIISPKJSA-N
XLogP0.91
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.91
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-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-[(5-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 14819169) is (2S)-1-[(2S)-2-[(5-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-[(5-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-[(5-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid is CCCCC1CC(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-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MWALIMRGPYENEJ-WTIISPKJSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-3-4-6-11-9-12(16(22)23-11)17-10(2)14(19)18-8-5-7-13(18)15(20)21/h10-13,17H,3-9H2,1-2H3,(H,20,21)/t10-,11?,12?,13-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[(5-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-[(5-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 326.39 g/mol, XLogP of 0.91, 7 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-butyl-2-oxooxolan-3-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 14819169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).