N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide

C12H20N4O5 — CID 70516631

IUPACN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESNC(=O)CNC(=O)CNC(=O)C(CCO)N1CCCC1=O
InChIInChI=1S/C12H20N4O5/c13-9(18)6-14-10(19)7-15-12(21)8(3-5-17)16-4-1-2-11(16)20/h8,17H,1-7H2,(H2,13,18)(H,14,19)(H,15,21)
InChIKeyFSVGUPSANOGFAU-UHFFFAOYSA-N
MW300.32 g/mol
LogP-2.92
Rot. Bonds8

About N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide

N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 70516631) has the molecular formula C12H20N4O5 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID70516631
Molecular FormulaC12H20N4O5
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESNC(=O)CNC(=O)CNC(=O)C(CCO)N1CCCC1=O
InChIInChI=1S/C12H20N4O5/c13-9(18)6-14-10(19)7-15-12(21)8(3-5-17)16-4-1-2-11(16)20/h8,17H,1-7H2,(H2,13,18)(H,14,19)(H,15,21)
InChIKeyFSVGUPSANOGFAU-UHFFFAOYSA-N
XLogP-2.92
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-2.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide (CID 70516631) is N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide is NC(=O)CNC(=O)CNC(=O)C(CCO)N1CCCC1=O.
What is the InChIKey of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is FSVGUPSANOGFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O5/c13-9(18)6-14-10(19)7-15-12(21)8(3-5-17)16-4-1-2-11(16)20/h8,17H,1-7H2,(H2,13,18)(H,14,19)(H,15,21).
What are the key properties of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide?
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 300.32 g/mol, XLogP of -2.92, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 70516631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).