N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide

C8H14N2O4 — CID 106173492

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H14N2O4/c1-5(11)2-3-7(13)10-4-6(12)8(9)14/h6,12H,2-4H2,1H3,(H2,9,14)(H,10,13)
InChIKeyAJTWTSPZGTVRON-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.68
Rot. Bonds6

About N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide

N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide (PubChem CID 106173492) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide
PubChem CID106173492
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H14N2O4/c1-5(11)2-3-7(13)10-4-6(12)8(9)14/h6,12H,2-4H2,1H3,(H2,9,14)(H,10,13)
InChIKeyAJTWTSPZGTVRON-UHFFFAOYSA-N
XLogP-1.68
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
CID 107261286
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide
CID 106175507
2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide
CID 106164287
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744
N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide
CID 107153016
2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide
CID 107362626
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide
CID 106164776
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
CID 114152434
3-[[2-(cyclopropylamino)acetyl]amino]-2-hydroxypropanamide
CID 106175640
3-[[2-(azetidin-3-yl)acetyl]amino]-2-hydroxypropanamide
CID 106175935
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-oxopentanamide
CID 106277105
N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
CID 107261214

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide (CID 106173492) is N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide is CC(=O)CCC(=O)NCC(O)C(N)=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide?
The InChIKey is AJTWTSPZGTVRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-5(11)2-3-7(13)10-4-6(12)8(9)14/h6,12H,2-4H2,1H3,(H2,9,14)(H,10,13).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide has a molecular weight of 202.21 g/mol, XLogP of -1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide is sourced from PubChem (CID 106173492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).