3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide

C11H21N3O5 — CID 177167267

IUPAC3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide
SMILESCCC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC
InChIInChI=1S/C11H21N3O5/c1-3-9(17)7(5-15)14-10(18)4-13-11(19)8(6-16)12-2/h7-8,12,15-16H,3-6H2,1-2H3,(H,13,19)(H,14,18)
InChIKeyFRLKWOFDZBVMIH-UHFFFAOYSA-N
MW275.31 g/mol
LogP-2.86
Rot. Bonds9

About 3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide

3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide (PubChem CID 177167267) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide
PubChem CID177167267
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide
SMILESCCC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC
InChIInChI=1S/C11H21N3O5/c1-3-9(17)7(5-15)14-10(18)4-13-11(19)8(6-16)12-2/h7-8,12,15-16H,3-6H2,1-2H3,(H,13,19)(H,14,18)
InChIKeyFRLKWOFDZBVMIH-UHFFFAOYSA-N
XLogP-2.86
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-2.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide?
The IUPAC name of 3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide (CID 177167267) is 3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide.
What is the SMILES notation for 3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide?
The canonical SMILES for 3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide is CCC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC.
What is the InChIKey of 3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide?
The InChIKey is FRLKWOFDZBVMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-3-9(17)7(5-15)14-10(18)4-13-11(19)8(6-16)12-2/h7-8,12,15-16H,3-6H2,1-2H3,(H,13,19)(H,14,18).
What are the key properties of 3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide?
3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide has a molecular weight of 275.31 g/mol, XLogP of -2.86, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-[(1-hydroxy-3-oxopentan-2-yl)amino]-2-oxoethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 177167267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).