3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid

C12H21NO4 — CID 103019197

IUPAC3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid
SMILESCOC(C)(C)CC(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C12H21NO4/c1-12(2,17-3)7-10(14)13-9(6-11(15)16)8-4-5-8/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyLIFKNBYLCMOVCV-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds7

About 3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid

3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid (PubChem CID 103019197) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid
PubChem CID103019197
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid
SMILESCOC(C)(C)CC(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C12H21NO4/c1-12(2,17-3)7-10(14)13-9(6-11(15)16)8-4-5-8/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyLIFKNBYLCMOVCV-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid
CID 81362383
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
3-cyclopropyl-3-(3-ethoxypropanoylamino)propanoic acid
CID 81361654
(2S)-2-[(3-methoxy-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103018443
3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 81368722
3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid
CID 114111558
3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid
CID 82853423
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid
CID 107472588
(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid
CID 107823761
3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 81362904
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic acid
CID 34178705
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
CID 103021223

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid (CID 103019197) is 3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid is COC(C)(C)CC(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid?
The InChIKey is LIFKNBYLCMOVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,17-3)7-10(14)13-9(6-11(15)16)8-4-5-8/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid?
3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid is sourced from PubChem (CID 103019197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).