2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid

C13H23NO3 — CID 103925732

IUPAC2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)CC1CCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-9(2)6-11(13(16)17)8-14-12(15)7-10-4-3-5-10/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYTOIHRFUJMAPAO-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.04
Rot. Bonds7

About 2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid

2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid (PubChem CID 103925732) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid
PubChem CID103925732
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)CC1CCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-9(2)6-11(13(16)17)8-14-12(15)7-10-4-3-5-10/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYTOIHRFUJMAPAO-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770830
N-(2-amino-4-methylpentyl)-2-cyclohexylacetamide
CID 107158692
2-cyclopentyl-N-(2-hydroxypropyl)acetamide
CID 60654176
2-[(3-cyclohexylpropylamino)methyl]-4-methylpentanoic acid
CID 122128024
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
2-cyclopentyl-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447247
2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid
CID 65224540
2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid
CID 119233645
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980
2-cyclohexyl-N-[2-(methylamino)propyl]acetamide
CID 103512587
4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
CID 104855855
2-cyclopentyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66107291

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid (CID 103925732) is 2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)CC1CCC1)C(=O)O.
What is the InChIKey of 2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is YTOIHRFUJMAPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)6-11(13(16)17)8-14-12(15)7-10-4-3-5-10/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid?
2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 103925732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).