(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide

C15H25N5O4 — CID 13312545

IUPAC(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C15H25N5O4/c1-8(2)6-9(18-13(22)10-7-17-15(24)19-10)14(23)20-5-3-4-11(20)12(16)21/h8-11H,3-7H2,1-2H3,(H2,16,21)(H,18,22)(H2,17,19,24)/t9-,10-,11-/m0/s1
InChIKeyBKQGGEUIMTUQJD-DCAQKATOSA-N
MW339.40 g/mol
LogP-1.33
Rot. Bonds6

About (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 13312545) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide
PubChem CID13312545
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC Name(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C15H25N5O4/c1-8(2)6-9(18-13(22)10-7-17-15(24)19-10)14(23)20-5-3-4-11(20)12(16)21/h8-11H,3-7H2,1-2H3,(H2,16,21)(H,18,22)(H2,17,19,24)/t9-,10-,11-/m0/s1
InChIKeyBKQGGEUIMTUQJD-DCAQKATOSA-N
XLogP-1.33
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide (CID 13312545) is (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is BKQGGEUIMTUQJD-DCAQKATOSA-N. The full InChI is InChI=1S/C15H25N5O4/c1-8(2)6-9(18-13(22)10-7-17-15(24)19-10)14(23)20-5-3-4-11(20)12(16)21/h8-11H,3-7H2,1-2H3,(H2,16,21)(H,18,22)(H2,17,19,24)/t9-,10-,11-/m0/s1.
What are the key properties of (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of -1.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 13312545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).