(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid

C17H29N3O5 — CID 119361761

IUPAC(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1CC(=O)N(CCN2CCOCC2)C1)C(=O)O
InChIInChI=1S/C17H29N3O5/c1-12(2)9-14(17(23)24)18-16(22)13-10-15(21)20(11-13)4-3-19-5-7-25-8-6-19/h12-14H,3-11H2,1-2H3,(H,18,22)(H,23,24)/t13?,14-/m0/s1
InChIKeyRPDPYMQHOIMYDD-KZUDCZAMSA-N
MW355.44 g/mol
LogP-0.22
Rot. Bonds8

About (2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid

(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid (PubChem CID 119361761) has the molecular formula C17H29N3O5 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
PubChem CID119361761
Molecular FormulaC17H29N3O5
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC Name(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1CC(=O)N(CCN2CCOCC2)C1)C(=O)O
InChIInChI=1S/C17H29N3O5/c1-12(2)9-14(17(23)24)18-16(22)13-10-15(21)20(11-13)4-3-19-5-7-25-8-6-19/h12-14H,3-11H2,1-2H3,(H,18,22)(H,23,24)/t13?,14-/m0/s1
InChIKeyRPDPYMQHOIMYDD-KZUDCZAMSA-N
XLogP-0.22
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid (CID 119361761) is (2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)C1CC(=O)N(CCN2CCOCC2)C1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is RPDPYMQHOIMYDD-KZUDCZAMSA-N. The full InChI is InChI=1S/C17H29N3O5/c1-12(2)9-14(17(23)24)18-16(22)13-10-15(21)20(11-13)4-3-19-5-7-25-8-6-19/h12-14H,3-11H2,1-2H3,(H,18,22)(H,23,24)/t13?,14-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 355.44 g/mol, XLogP of -0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119361761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).