(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide

C16H25N5O5 — CID 3080380

IUPAC(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
SMILESCCC[C@H](NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C16H25N5O5/c1-3-5-9(15(25)21-7-4-6-11(21)13(17)23)18-14(24)10-8-12(22)20(2)16(26)19-10/h9-11H,3-8H2,1-2H3,(H2,17,23)(H,18,24)(H,19,26)/t9-,10-,11-/m0/s1
InChIKeyWRMYQWTXKLJNBF-DCAQKATOSA-N
MW367.41 g/mol
LogP-1.31
Rot. Bonds6

About (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide

(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide (PubChem CID 3080380) has the molecular formula C16H25N5O5 and a molecular weight of 367.41 g/mol. Its IUPAC name is (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
PubChem CID3080380
Molecular FormulaC16H25N5O5
Molecular Weight367.41 g/mol
Exact Mass367.19
IUPAC Name(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
SMILESCCC[C@H](NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C16H25N5O5/c1-3-5-9(15(25)21-7-4-6-11(21)13(17)23)18-14(24)10-8-12(22)20(2)16(26)19-10/h9-11H,3-8H2,1-2H3,(H2,17,23)(H,18,24)(H,19,26)/t9-,10-,11-/m0/s1
InChIKeyWRMYQWTXKLJNBF-DCAQKATOSA-N
XLogP-1.31
TPSA141.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide?
The IUPAC name of (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide (CID 3080380) is (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide is CCC[C@H](NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide?
The InChIKey is WRMYQWTXKLJNBF-DCAQKATOSA-N. The full InChI is InChI=1S/C16H25N5O5/c1-3-5-9(15(25)21-7-4-6-11(21)13(17)23)18-14(24)10-8-12(22)20(2)16(26)19-10/h9-11H,3-8H2,1-2H3,(H2,17,23)(H,18,24)(H,19,26)/t9-,10-,11-/m0/s1.
What are the key properties of (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide?
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of -1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 3080380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).