N-hydroxy-2-(3-oxopropoxy)propanamide

C6H11NO4 — CID 143800361

IUPACN-hydroxy-2-(3-oxopropoxy)propanamide
SMILESCC(OCCC=O)C(=O)NO
InChIInChI=1S/C6H11NO4/c1-5(6(9)7-10)11-4-2-3-8/h3,5,10H,2,4H2,1H3,(H,7,9)
InChIKeyMZKSJNBXDUQAFZ-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.51
Rot. Bonds5

About N-hydroxy-2-(3-oxopropoxy)propanamide

N-hydroxy-2-(3-oxopropoxy)propanamide (PubChem CID 143800361) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is N-hydroxy-2-(3-oxopropoxy)propanamide.

Molecular Properties

Compound NameN-hydroxy-2-(3-oxopropoxy)propanamide
PubChem CID143800361
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC NameN-hydroxy-2-(3-oxopropoxy)propanamide
SMILESCC(OCCC=O)C(=O)NO
InChIInChI=1S/C6H11NO4/c1-5(6(9)7-10)11-4-2-3-8/h3,5,10H,2,4H2,1H3,(H,7,9)
InChIKeyMZKSJNBXDUQAFZ-UHFFFAOYSA-N
XLogP-0.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide
CID 120828523
(2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid
CID 103791004
N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide
CID 119588761
N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride
CID 120506512
3-oxopropyl 2-hydroxypropanoate
CID 154189080
(2S)-2-(2-but-3-enoxypropanoylamino)-3-methylbutanoic acid
CID 119360508
N-methyl-2-[2-(propan-2-ylamino)ethoxy]propanamide
CID 62341422
N,2-dimethyl-5-oxopentanamide
CID 20693317
2-but-3-enoxypropanoic acid
CID 43128770
1-(2-but-3-enoxypropanoylamino)cycloheptane-1-carboxylic acid
CID 120538661
[(2R)-3-carboxy-2-(3-oxopropoxy)propyl]-trimethylazanium
CID 175291485
N-[2-(ethylamino)ethyl]-2-(3-methylbutoxy)propanamide;hydrochloride
CID 119507501

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(3-oxopropoxy)propanamide?
The IUPAC name of N-hydroxy-2-(3-oxopropoxy)propanamide (CID 143800361) is N-hydroxy-2-(3-oxopropoxy)propanamide.
What is the SMILES notation for N-hydroxy-2-(3-oxopropoxy)propanamide?
The canonical SMILES for N-hydroxy-2-(3-oxopropoxy)propanamide is CC(OCCC=O)C(=O)NO.
What is the InChIKey of N-hydroxy-2-(3-oxopropoxy)propanamide?
The InChIKey is MZKSJNBXDUQAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-5(6(9)7-10)11-4-2-3-8/h3,5,10H,2,4H2,1H3,(H,7,9).
What are the key properties of N-hydroxy-2-(3-oxopropoxy)propanamide?
N-hydroxy-2-(3-oxopropoxy)propanamide has a molecular weight of 161.16 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(3-oxopropoxy)propanamide is sourced from PubChem (CID 143800361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).