(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide

C16H30N4O3 — CID 75411467

IUPAC(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H30N4O3/c1-16(2,15(22)17-3)20-7-4-5-13(20)14(21)18-6-8-19-9-11-23-12-10-19/h13H,4-12H2,1-3H3,(H,17,22)(H,18,21)/t13-/m0/s1
InChIKeyHKSZKOUBSUSHCU-ZDUSSCGKSA-N
MW326.44 g/mol
LogP-0.58
Rot. Bonds6

About (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide

(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 75411467) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
PubChem CID75411467
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H30N4O3/c1-16(2,15(22)17-3)20-7-4-5-13(20)14(21)18-6-8-19-9-11-23-12-10-19/h13H,4-12H2,1-3H3,(H,17,22)(H,18,21)/t13-/m0/s1
InChIKeyHKSZKOUBSUSHCU-ZDUSSCGKSA-N
XLogP-0.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide (CID 75411467) is (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide is CNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCCN1CCOCC1.
What is the InChIKey of (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is HKSZKOUBSUSHCU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-16(2,15(22)17-3)20-7-4-5-13(20)14(21)18-6-8-19-9-11-23-12-10-19/h13H,4-12H2,1-3H3,(H,17,22)(H,18,21)/t13-/m0/s1.
What are the key properties of (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).