(3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid

C16H28N2O4 — CID 124610614

IUPAC(3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid
SMILESCCC(CC)[C@H](C(=O)N1CC[C@H](C(=O)O)C1)N1CCOCC1
InChIInChI=1S/C16H28N2O4/c1-3-12(4-2)14(17-7-9-22-10-8-17)15(19)18-6-5-13(11-18)16(20)21/h12-14H,3-11H2,1-2H3,(H,20,21)/t13-,14+/m0/s1
InChIKeyZHCIGYBAFRMCCU-UONOGXRCSA-N
MW312.41 g/mol
LogP1.06
Rot. Bonds6

About (3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid

(3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 124610614) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is (3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid
PubChem CID124610614
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name(3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid
SMILESCCC(CC)[C@H](C(=O)N1CC[C@H](C(=O)O)C1)N1CCOCC1
InChIInChI=1S/C16H28N2O4/c1-3-12(4-2)14(17-7-9-22-10-8-17)15(19)18-6-5-13(11-18)16(20)21/h12-14H,3-11H2,1-2H3,(H,20,21)/t13-,14+/m0/s1
InChIKeyZHCIGYBAFRMCCU-UONOGXRCSA-N
XLogP1.06
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid (CID 124610614) is (3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid is CCC(CC)[C@H](C(=O)N1CC[C@H](C(=O)O)C1)N1CCOCC1.
What is the InChIKey of (3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZHCIGYBAFRMCCU-UONOGXRCSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-3-12(4-2)14(17-7-9-22-10-8-17)15(19)18-6-5-13(11-18)16(20)21/h12-14H,3-11H2,1-2H3,(H,20,21)/t13-,14+/m0/s1.
What are the key properties of (3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid?
(3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124610614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).