methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate

C10H19NO5 — CID 103021727

IUPACmethyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)CC(C)(C)OC
InChIInChI=1S/C10H19NO5/c1-10(2,16-4)5-8(13)11-7(6-12)9(14)15-3/h7,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyOSNNZBMENIVNJX-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.55
Rot. Bonds6

About methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate

methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate (PubChem CID 103021727) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate
PubChem CID103021727
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Namemethyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)CC(C)(C)OC
InChIInChI=1S/C10H19NO5/c1-10(2,16-4)5-8(13)11-7(6-12)9(14)15-3/h7,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyOSNNZBMENIVNJX-UHFFFAOYSA-N
XLogP-0.55
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid
CID 107823761
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
CID 103021223
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 90449496
methyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 43311461
methyl (2S)-2-(tert-butylcarbamoylamino)-3-hydroxypropanoate
CID 54449855
methyl 2-(carbamoylamino)-3-hydroxypropanoate
CID 43311462
N,3-dimethoxy-3-methylbutanamide
CID 103021007
(2S)-2-[(3-methoxy-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103018443
methyl (2S)-2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 22872263
methyl 2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 19957218
methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
CID 43422807

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate (CID 103021727) is methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate is COC(=O)C(CO)NC(=O)CC(C)(C)OC.
What is the InChIKey of methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate?
The InChIKey is OSNNZBMENIVNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-10(2,16-4)5-8(13)11-7(6-12)9(14)15-3/h7,12H,5-6H2,1-4H3,(H,11,13).
What are the key properties of methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate?
methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate has a molecular weight of 233.26 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate is sourced from PubChem (CID 103021727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).