3-(butanoylamino)-4-methoxy-3-methylbutanoic acid

C10H19NO4 — CID 115910326

IUPAC3-(butanoylamino)-4-methoxy-3-methylbutanoic acid
SMILESCCCC(=O)NC(C)(COC)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-4-5-8(12)11-10(2,7-15-3)6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyIGWADCUDMDCDAK-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds7

About 3-(butanoylamino)-4-methoxy-3-methylbutanoic acid

3-(butanoylamino)-4-methoxy-3-methylbutanoic acid (PubChem CID 115910326) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(butanoylamino)-4-methoxy-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(butanoylamino)-4-methoxy-3-methylbutanoic acid
PubChem CID115910326
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-(butanoylamino)-4-methoxy-3-methylbutanoic acid
SMILESCCCC(=O)NC(C)(COC)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-4-5-8(12)11-10(2,7-15-3)6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyIGWADCUDMDCDAK-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,2-dimethylpropanoylamino)butanoylamino]-4-methoxy-3-methylbutanoic acid
CID 75445940
(3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 124686163
4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid
CID 120532206
4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid
CID 120532216
methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate
CID 119344189
4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 120532234
4-methoxy-3-methyl-3-(2-phenylbutanoylamino)butanoic acid
CID 120606645
3-[(4,4-difluorocyclohexanecarbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532395
3-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]-4-methoxy-3-methylbutanoic acid
CID 120532266
3-amino-4-methoxy-3-methylbutanoic acid
CID 64666411
(3S)-3-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-4-methoxy-3-methylbutanoic acid
CID 124684943
3-(3-cyclopropylpropanoylamino)-3-methylpentanoic acid
CID 115730882

Frequently Asked Questions

What is the IUPAC name of 3-(butanoylamino)-4-methoxy-3-methylbutanoic acid?
The IUPAC name of 3-(butanoylamino)-4-methoxy-3-methylbutanoic acid (CID 115910326) is 3-(butanoylamino)-4-methoxy-3-methylbutanoic acid.
What is the SMILES notation for 3-(butanoylamino)-4-methoxy-3-methylbutanoic acid?
The canonical SMILES for 3-(butanoylamino)-4-methoxy-3-methylbutanoic acid is CCCC(=O)NC(C)(COC)CC(=O)O.
What is the InChIKey of 3-(butanoylamino)-4-methoxy-3-methylbutanoic acid?
The InChIKey is IGWADCUDMDCDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-5-8(12)11-10(2,7-15-3)6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 3-(butanoylamino)-4-methoxy-3-methylbutanoic acid?
3-(butanoylamino)-4-methoxy-3-methylbutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)-4-methoxy-3-methylbutanoic acid is sourced from PubChem (CID 115910326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).