N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide

C8H16N2O3 — CID 79200969

IUPACN-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide
SMILESCC(O)CCC(=O)N(C)CC(N)=O
InChIInChI=1S/C8H16N2O3/c1-6(11)3-4-8(13)10(2)5-7(9)12/h6,11H,3-5H2,1-2H3,(H2,9,12)
InChIKeyGJQKBRRMMRSWTD-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.91
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide

N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide (PubChem CID 79200969) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide
PubChem CID79200969
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC NameN-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide
SMILESCC(O)CCC(=O)N(C)CC(N)=O
InChIInChI=1S/C8H16N2O3/c1-6(11)3-4-8(13)10(2)5-7(9)12/h6,11H,3-5H2,1-2H3,(H2,9,12)
InChIKeyGJQKBRRMMRSWTD-UHFFFAOYSA-N
XLogP-0.91
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 112666850
2-amino-N-(2-amino-2-oxoethyl)-N-methylacetamide
CID 43374242
N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide
CID 79204539
2-[(2-chloroacetyl)-methylamino]acetamide
CID 19981542
4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
CID 104556903
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-methyl-2-(methylamino)acetamide
CID 146638084
3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide
CID 54988932
N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide
CID 79200204
4-hydroxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 79203580
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61198991
2,8-dihydroxynonan-5-one
CID 174799972
2-[(2-amino-2-oxoethyl)-[3-hydroxybutyl(methyl)carbamoyl]amino]acetic acid
CID 107439316

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide (CID 79200969) is N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide is CC(O)CCC(=O)N(C)CC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide?
The InChIKey is GJQKBRRMMRSWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(11)3-4-8(13)10(2)5-7(9)12/h6,11H,3-5H2,1-2H3,(H2,9,12).
What are the key properties of N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide?
N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide has a molecular weight of 188.23 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide is sourced from PubChem (CID 79200969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).