propan-2-yl 2-acetamido-3-hydroxypropanoate

C8H15NO4 — CID 75094884

IUPACpropan-2-yl 2-acetamido-3-hydroxypropanoate
SMILESCC(=O)NC(CO)C(=O)OC(C)C
InChIInChI=1S/C8H15NO4/c1-5(2)13-8(12)7(4-10)9-6(3)11/h5,7,10H,4H2,1-3H3,(H,9,11)
InChIKeyMREUKPSGIJXICQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.56
Rot. Bonds4

About propan-2-yl 2-acetamido-3-hydroxypropanoate

propan-2-yl 2-acetamido-3-hydroxypropanoate (PubChem CID 75094884) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is propan-2-yl 2-acetamido-3-hydroxypropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-acetamido-3-hydroxypropanoate
PubChem CID75094884
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namepropan-2-yl 2-acetamido-3-hydroxypropanoate
SMILESCC(=O)NC(CO)C(=O)OC(C)C
InChIInChI=1S/C8H15NO4/c1-5(2)13-8(12)7(4-10)9-6(3)11/h5,7,10H,4H2,1-3H3,(H,9,11)
InChIKeyMREUKPSGIJXICQ-UHFFFAOYSA-N
XLogP-0.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (2S)-2-acetamido-4-hydroxybutanoate
CID 87894989
(3S)-3-acetamido-4-oxo-4-propan-2-yloxybutanoic acid
CID 71355612
propan-2-yl (2S)-2-acetamidopentanoate
CID 90680449
propan-2-yl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 87112681
ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919
propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
CID 90449531
1-propan-2-yloxyethyl 2-acetamido-3-sulfanylpropanoate
CID 163263944
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide
CID 87061144
[(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate
CID 170446459

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-acetamido-3-hydroxypropanoate?
The IUPAC name of propan-2-yl 2-acetamido-3-hydroxypropanoate (CID 75094884) is propan-2-yl 2-acetamido-3-hydroxypropanoate.
What is the SMILES notation for propan-2-yl 2-acetamido-3-hydroxypropanoate?
The canonical SMILES for propan-2-yl 2-acetamido-3-hydroxypropanoate is CC(=O)NC(CO)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-acetamido-3-hydroxypropanoate?
The InChIKey is MREUKPSGIJXICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(2)13-8(12)7(4-10)9-6(3)11/h5,7,10H,4H2,1-3H3,(H,9,11).
What are the key properties of propan-2-yl 2-acetamido-3-hydroxypropanoate?
propan-2-yl 2-acetamido-3-hydroxypropanoate has a molecular weight of 189.21 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-acetamido-3-hydroxypropanoate is sourced from PubChem (CID 75094884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).