(2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide

C16H26N4O4 — CID 13312502

IUPAC(2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C16H26N4O4/c1-9(2)8-11(19-15(23)10-5-6-13(21)18-10)16(24)20-7-3-4-12(20)14(17)22/h9-12H,3-8H2,1-2H3,(H2,17,22)(H,18,21)(H,19,23)/t10-,11-,12+/m0/s1
InChIKeyWKRBQSKJRZKXAH-SDDRHHMPSA-N
MW338.41 g/mol
LogP-0.73
Rot. Bonds6

About (2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 13312502) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID13312502
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name(2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C16H26N4O4/c1-9(2)8-11(19-15(23)10-5-6-13(21)18-10)16(24)20-7-3-4-12(20)14(17)22/h9-12H,3-8H2,1-2H3,(H2,17,22)(H,18,21)(H,19,23)/t10-,11-,12+/m0/s1
InChIKeyWKRBQSKJRZKXAH-SDDRHHMPSA-N
XLogP-0.73
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 13312502) is (2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@@H]1C(N)=O.
What is the InChIKey of (2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WKRBQSKJRZKXAH-SDDRHHMPSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-9(2)8-11(19-15(23)10-5-6-13(21)18-10)16(24)20-7-3-4-12(20)14(17)22/h9-12H,3-8H2,1-2H3,(H2,17,22)(H,18,21)(H,19,23)/t10-,11-,12+/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 13312502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).