2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide

C14H23N5O4 — CID 110134609

IUPAC2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide
SMILESNC[C@@H]1CC[C@H](CC(N)=O)N1C(=O)CCN1C(=O)CCNC1=O
InChIInChI=1S/C14H23N5O4/c15-8-10-2-1-9(7-11(16)20)19(10)13(22)4-6-18-12(21)3-5-17-14(18)23/h9-10H,1-8,15H2,(H2,16,20)(H,17,23)/t9-,10+/m1/s1
InChIKeyQFVAQTJIZLEMFE-ZJUUUORDSA-N
MW325.37 g/mol
LogP-1.49
Rot. Bonds6

About 2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide

2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide (PubChem CID 110134609) has the molecular formula C14H23N5O4 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide
PubChem CID110134609
Molecular FormulaC14H23N5O4
Molecular Weight325.37 g/mol
Exact Mass325.18
IUPAC Name2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide
SMILESNC[C@@H]1CC[C@H](CC(N)=O)N1C(=O)CCN1C(=O)CCNC1=O
InChIInChI=1S/C14H23N5O4/c15-8-10-2-1-9(7-11(16)20)19(10)13(22)4-6-18-12(21)3-5-17-14(18)23/h9-10H,1-8,15H2,(H2,16,20)(H,17,23)/t9-,10+/m1/s1
InChIKeyQFVAQTJIZLEMFE-ZJUUUORDSA-N
XLogP-1.49
TPSA138.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide (CID 110134609) is 2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide is NC[C@@H]1CC[C@H](CC(N)=O)N1C(=O)CCN1C(=O)CCNC1=O.
What is the InChIKey of 2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide?
The InChIKey is QFVAQTJIZLEMFE-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H23N5O4/c15-8-10-2-1-9(7-11(16)20)19(10)13(22)4-6-18-12(21)3-5-17-14(18)23/h9-10H,1-8,15H2,(H2,16,20)(H,17,23)/t9-,10+/m1/s1.
What are the key properties of 2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide?
2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide has a molecular weight of 325.37 g/mol, XLogP of -1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-(aminomethyl)-1-[3-(2,6-dioxo-1,3-diazinan-1-yl)propanoyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 110134609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).