3-acetamido-N-(2,3-dihydroxypropyl)propanamide

C8H16N2O4 — CID 66177308

IUPAC3-acetamido-N-(2,3-dihydroxypropyl)propanamide
SMILESCC(=O)NCCC(=O)NCC(O)CO
InChIInChI=1S/C8H16N2O4/c1-6(12)9-3-2-8(14)10-4-7(13)5-11/h7,11,13H,2-5H2,1H3,(H,9,12)(H,10,14)
InChIKeyQERFGDFCSGFDOJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP-2.02
Rot. Bonds6

About 3-acetamido-N-(2,3-dihydroxypropyl)propanamide

3-acetamido-N-(2,3-dihydroxypropyl)propanamide (PubChem CID 66177308) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-acetamido-N-(2,3-dihydroxypropyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(2,3-dihydroxypropyl)propanamide
PubChem CID66177308
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name3-acetamido-N-(2,3-dihydroxypropyl)propanamide
SMILESCC(=O)NCCC(=O)NCC(O)CO
InChIInChI=1S/C8H16N2O4/c1-6(12)9-3-2-8(14)10-4-7(13)5-11/h7,11,13H,2-5H2,1H3,(H,9,12)(H,10,14)
InChIKeyQERFGDFCSGFDOJ-UHFFFAOYSA-N
XLogP-2.02
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031539
N-(2,3-dihydroxypropyl)butanamide
CID 20700885
N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide
CID 66168913
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-(2,3-dihydroxypropyl)-5-hydroxypentanamide
CID 79208714
4-(3-acetamidopropanoylamino)-3-methylbutanoic acid
CID 81063631
5-chloro-N-(2,3-dihydroxypropyl)pentanamide
CID 66168263
(Z)-N-(2,3-dihydroxypropyl)docos-13-enamide
CID 53321377
2-(3-acetamidopropanoylamino)ethylcarbamic acid
CID 19805641
3-acetamidopropanoyloxidanium
CID 154009858
N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane
CID 142322932
N,N'-bis[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]butanediamide;ethane
CID 171850537

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2,3-dihydroxypropyl)propanamide?
The IUPAC name of 3-acetamido-N-(2,3-dihydroxypropyl)propanamide (CID 66177308) is 3-acetamido-N-(2,3-dihydroxypropyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(2,3-dihydroxypropyl)propanamide?
The canonical SMILES for 3-acetamido-N-(2,3-dihydroxypropyl)propanamide is CC(=O)NCCC(=O)NCC(O)CO.
What is the InChIKey of 3-acetamido-N-(2,3-dihydroxypropyl)propanamide?
The InChIKey is QERFGDFCSGFDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-6(12)9-3-2-8(14)10-4-7(13)5-11/h7,11,13H,2-5H2,1H3,(H,9,12)(H,10,14).
What are the key properties of 3-acetamido-N-(2,3-dihydroxypropyl)propanamide?
3-acetamido-N-(2,3-dihydroxypropyl)propanamide has a molecular weight of 204.23 g/mol, XLogP of -2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2,3-dihydroxypropyl)propanamide is sourced from PubChem (CID 66177308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).