2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide

C9H17N3O4 — CID 20680961

IUPAC2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide
SMILESCONC(=O)C(C)NC(=O)C(C)NC(C)=O
InChIInChI=1S/C9H17N3O4/c1-5(10-7(3)13)8(14)11-6(2)9(15)12-16-4/h5-6H,1-4H3,(H,10,13)(H,11,14)(H,12,15)
InChIKeyBQCSKSFYZABKBS-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.31
Rot. Bonds5

About 2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide

2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide (PubChem CID 20680961) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide
PubChem CID20680961
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide
SMILESCONC(=O)C(C)NC(=O)C(C)NC(C)=O
InChIInChI=1S/C9H17N3O4/c1-5(10-7(3)13)8(14)11-6(2)9(15)12-16-4/h5-6H,1-4H3,(H,10,13)(H,11,14)(H,12,15)
InChIKeyBQCSKSFYZABKBS-UHFFFAOYSA-N
XLogP-1.31
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
methyl (2R)-2-acetamidopropanoate
CID 6951031
2-acetamido-N-(2-methylpropoxy)propanamide
CID 115409958
2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide
CID 163702587
2-acetamido-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]propanamide
CID 173042911
methyl (2S)-2-[[(2S)-2-[[(2R)-2-acetamido-4-methylpentanoyl]amino]propanoyl]amino]propanoate
CID 46867428
(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide
CID 102305580
methyl (2S)-6-acetamido-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]hexanoate
CID 22216362
(2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide
CID 141129031
ethyl (2R)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-methylbutanoate
CID 175974322

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide?
The IUPAC name of 2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide (CID 20680961) is 2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide is CONC(=O)C(C)NC(=O)C(C)NC(C)=O.
What is the InChIKey of 2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide?
The InChIKey is BQCSKSFYZABKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-5(10-7(3)13)8(14)11-6(2)9(15)12-16-4/h5-6H,1-4H3,(H,10,13)(H,11,14)(H,12,15).
What are the key properties of 2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide?
2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide has a molecular weight of 231.25 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 20680961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).