[1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate

C9H16N2O4 — CID 59423610

IUPAC[1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
SMILESCNC(=O)C(C)OC(=O)C(C)NC(C)=O
InChIInChI=1S/C9H16N2O4/c1-5(11-7(3)12)9(14)15-6(2)8(13)10-4/h5-6H,1-4H3,(H,10,13)(H,11,12)
InChIKeyJWAXMAJDMXGSRK-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.81
Rot. Bonds4

About [1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate

[1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate (PubChem CID 59423610) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is [1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate.

Molecular Properties

Compound Name[1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
PubChem CID59423610
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name[1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
SMILESCNC(=O)C(C)OC(=O)C(C)NC(C)=O
InChIInChI=1S/C9H16N2O4/c1-5(11-7(3)12)9(14)15-6(2)8(13)10-4/h5-6H,1-4H3,(H,10,13)(H,11,12)
InChIKeyJWAXMAJDMXGSRK-UHFFFAOYSA-N
XLogP-0.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-acetamidopropanoate
CID 40844676
(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
methyl (2R)-2-acetamidopropanoate
CID 6951031
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580
[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
CID 45354771
ethyl (2S)-2-acetamidopropanoate
CID 11805045
(2S)-2-acetamidopropanoate
CID 6926438
2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide
CID 20680961
(2S)-2-acetamidopropanoate;copper(1+)
CID 175469092
ethoxycarbonyl 2-acetamidopropanoate
CID 54522375
2-acetamido-N-(2-methylpropoxy)propanamide
CID 115409958

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate?
The IUPAC name of [1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate (CID 59423610) is [1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate.
What is the SMILES notation for [1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate?
The canonical SMILES for [1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate is CNC(=O)C(C)OC(=O)C(C)NC(C)=O.
What is the InChIKey of [1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate?
The InChIKey is JWAXMAJDMXGSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-5(11-7(3)12)9(14)15-6(2)8(13)10-4/h5-6H,1-4H3,(H,10,13)(H,11,12).
What are the key properties of [1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate?
[1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate has a molecular weight of 216.24 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate is sourced from PubChem (CID 59423610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).