3-(2,3,3-trimethylbutanoylamino)butanoic acid

C11H21NO3 — CID 119347954

IUPAC3-(2,3,3-trimethylbutanoylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C(C)C(C)(C)C
InChIInChI=1S/C11H21NO3/c1-7(6-9(13)14)12-10(15)8(2)11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyJWVHHPIYJMOWCA-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds4

About 3-(2,3,3-trimethylbutanoylamino)butanoic acid

3-(2,3,3-trimethylbutanoylamino)butanoic acid (PubChem CID 119347954) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(2,3,3-trimethylbutanoylamino)butanoic acid.

Molecular Properties

Compound Name3-(2,3,3-trimethylbutanoylamino)butanoic acid
PubChem CID119347954
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(2,3,3-trimethylbutanoylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C(C)C(C)(C)C
InChIInChI=1S/C11H21NO3/c1-7(6-9(13)14)12-10(15)8(2)11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyJWVHHPIYJMOWCA-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
2-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 120687072
3-[(3-amino-2-methylpropanoyl)amino]butanoic acid
CID 62670881
3-(2-aminobutanoylamino)butanoic acid
CID 61159852
carbanide;[1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]-methylazanide;yttrium
CID 59971091
(2S)-2-(2,3,3-trimethylbutanoylamino)hexanoic acid
CID 120615278
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
CID 61161973
3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid
CID 66185324
4-[[3-carboxy-1-[[3-carboxy-1-[[3-carboxy-1-[[3-carboxy-1-(1-carboxypropan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxo-3-(propanoylamino)butanoic acid
CID 177200663
3-(2-prop-2-enylpent-4-enoylamino)butanoic acid
CID 119347682

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3-trimethylbutanoylamino)butanoic acid?
The IUPAC name of 3-(2,3,3-trimethylbutanoylamino)butanoic acid (CID 119347954) is 3-(2,3,3-trimethylbutanoylamino)butanoic acid.
What is the SMILES notation for 3-(2,3,3-trimethylbutanoylamino)butanoic acid?
The canonical SMILES for 3-(2,3,3-trimethylbutanoylamino)butanoic acid is CC(CC(=O)O)NC(=O)C(C)C(C)(C)C.
What is the InChIKey of 3-(2,3,3-trimethylbutanoylamino)butanoic acid?
The InChIKey is JWVHHPIYJMOWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(6-9(13)14)12-10(15)8(2)11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14).
What are the key properties of 3-(2,3,3-trimethylbutanoylamino)butanoic acid?
3-(2,3,3-trimethylbutanoylamino)butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3-trimethylbutanoylamino)butanoic acid is sourced from PubChem (CID 119347954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).