(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide

C14H22N4O4 — CID 13312515

IUPAC(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C14H22N4O4/c1-2-8(17-13(21)9-5-6-11(19)16-9)14(22)18-7-3-4-10(18)12(15)20/h8-10H,2-7H2,1H3,(H2,15,20)(H,16,19)(H,17,21)/t8-,9-,10-/m0/s1
InChIKeyCAJWTDLEPIFLOW-GUBZILKMSA-N
MW310.35 g/mol
LogP-1.36
Rot. Bonds5

About (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 13312515) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID13312515
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C14H22N4O4/c1-2-8(17-13(21)9-5-6-11(19)16-9)14(22)18-7-3-4-10(18)12(15)20/h8-10H,2-7H2,1H3,(H2,15,20)(H,16,19)(H,17,21)/t8-,9-,10-/m0/s1
InChIKeyCAJWTDLEPIFLOW-GUBZILKMSA-N
XLogP-1.36
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-1.36
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-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 13312515) is (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide is CC[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-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is CAJWTDLEPIFLOW-GUBZILKMSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-2-8(17-13(21)9-5-6-11(19)16-9)14(22)18-7-3-4-10(18)12(15)20/h8-10H,2-7H2,1H3,(H2,15,20)(H,16,19)(H,17,21)/t8-,9-,10-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 13312515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).